N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide

C85H117N27O6 — CID 159258589

IUPACN-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide
SMILESCC(C)Cn1cc(Nc2nc(N3CCC[C@@H](NC(=O)c4cc5c(n4C)CC(C)(C)C5)[C@H]3C)cnc2C(N)=O)cn1.CCn1cc(Nc2nc(N3C[C@H](NC(=O)c4cc5c(n4C)CC(C)(C)C5)CC[C@@H]3C)cnc2C(N)=O)cn1.C[C@@H]1[C@H](NC(=O)c2cc3c(n2C)CC(C)(C)C3)CCCN1c1cnc(C(N)=O)c(Nc2cnn(CC3CC3)c2)n1
InChIInChI=1S/C29H39N9O2.C29H41N9O2.C27H37N9O2/c1-17-21(34-28(40)22-10-19-11-29(2,3)12-23(19)36(22)4)6-5-9-38(17)24-14-31-25(26(30)39)27(35-24)33-20-13-32-37(16-20)15-18-7-8-18;1-17(2)15-37-16-20(13-32-37)33-27-25(26(30)39)31-14-24(35-27)38-9-7-8-21(18(38)3)34-28(40)22-10-19-11-29(4,5)12-23(19)36(22)6;1-6-35-14-19(12-30-35)31-25-23(24(28)37)29-13-22(33-25)36-15-18(8-7-16(36)2)32-26(38)20-9-17-10-27(3,4)11-21(17)34(20)5/h10,13-14,16-18,21H,5-9,11-12,15H2,1-4H3,(H2,30,39)(H,33,35)(H,34,40);10,13-14,16-18,21H,7-9,11-12,15H2,1-6H3,(H2,30,39)(H,33,35)(H,34,40);9,12-14,16,18H,6-8,10-11,15H2,1-5H3,(H2,28,37)(H,31,33)(H,32,38)/t17-,21-;18-,21-;16-,18+/m110/s1
InChIKeyKWFGTZYTRKZDJR-HIQVWLDQSA-N
MW1613.05 g/mol
LogP9.38
Rot. Bonds23

About N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide

N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide (PubChem CID 159258589) has the molecular formula C85H117N27O6 and a molecular weight of 1613.05 g/mol. Its IUPAC name is N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide
PubChem CID159258589
Molecular FormulaC85H117N27O6
Molecular Weight1613.05 g/mol
Exact Mass1611.97
IUPAC NameN-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide
SMILESCC(C)Cn1cc(Nc2nc(N3CCC[C@@H](NC(=O)c4cc5c(n4C)CC(C)(C)C5)[C@H]3C)cnc2C(N)=O)cn1.CCn1cc(Nc2nc(N3C[C@H](NC(=O)c4cc5c(n4C)CC(C)(C)C5)CC[C@@H]3C)cnc2C(N)=O)cn1.C[C@@H]1[C@H](NC(=O)c2cc3c(n2C)CC(C)(C)C3)CCCN1c1cnc(C(N)=O)c(Nc2cnn(CC3CC3)c2)n1
InChIInChI=1S/C29H39N9O2.C29H41N9O2.C27H37N9O2/c1-17-21(34-28(40)22-10-19-11-29(2,3)12-23(19)36(22)4)6-5-9-38(17)24-14-31-25(26(30)39)27(35-24)33-20-13-32-37(16-20)15-18-7-8-18;1-17(2)15-37-16-20(13-32-37)33-27-25(26(30)39)31-14-24(35-27)38-9-7-8-21(18(38)3)34-28(40)22-10-19-11-29(4,5)12-23(19)36(22)6;1-6-35-14-19(12-30-35)31-25-23(24(28)37)29-13-22(33-25)36-15-18(8-7-16(36)2)32-26(38)20-9-17-10-27(3,4)11-21(17)34(20)5/h10,13-14,16-18,21H,5-9,11-12,15H2,1-4H3,(H2,30,39)(H,33,35)(H,34,40);10,13-14,16-18,21H,7-9,11-12,15H2,1-6H3,(H2,30,39)(H,33,35)(H,34,40);9,12-14,16,18H,6-8,10-11,15H2,1-5H3,(H2,28,37)(H,31,33)(H,32,38)/t17-,21-;18-,21-;16-,18+/m110/s1
InChIKeyKWFGTZYTRKZDJR-HIQVWLDQSA-N
XLogP9.38
TPSA407.97 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms118
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001613.05
LogP ≤ 59.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide?
The IUPAC name of N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide (CID 159258589) is N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide?
The canonical SMILES for N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide is CC(C)Cn1cc(Nc2nc(N3CCC[C@@H](NC(=O)c4cc5c(n4C)CC(C)(C)C5)[C@H]3C)cnc2C(N)=O)cn1.CCn1cc(Nc2nc(N3C[C@H](NC(=O)c4cc5c(n4C)CC(C)(C)C5)CC[C@@H]3C)cnc2C(N)=O)cn1.C[C@@H]1[C@H](NC(=O)c2cc3c(n2C)CC(C)(C)C3)CCCN1c1cnc(C(N)=O)c(Nc2cnn(CC3CC3)c2)n1.
What is the InChIKey of N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is KWFGTZYTRKZDJR-HIQVWLDQSA-N. The full InChI is InChI=1S/C29H39N9O2.C29H41N9O2.C27H37N9O2/c1-17-21(34-28(40)22-10-19-11-29(2,3)12-23(19)36(22)4)6-5-9-38(17)24-14-31-25(26(30)39)27(35-24)33-20-13-32-37(16-20)15-18-7-8-18;1-17(2)15-37-16-20(13-32-37)33-27-25(26(30)39)31-14-24(35-27)38-9-7-8-21(18(38)3)34-28(40)22-10-19-11-29(4,5)12-23(19)36(22)6;1-6-35-14-19(12-30-35)31-25-23(24(28)37)29-13-22(33-25)36-15-18(8-7-16(36)2)32-26(38)20-9-17-10-27(3,4)11-21(17)34(20)5/h10,13-14,16-18,21H,5-9,11-12,15H2,1-4H3,(H2,30,39)(H,33,35)(H,34,40);10,13-14,16-18,21H,7-9,11-12,15H2,1-6H3,(H2,30,39)(H,33,35)(H,34,40);9,12-14,16,18H,6-8,10-11,15H2,1-5H3,(H2,28,37)(H,31,33)(H,32,38)/t17-,21-;18-,21-;16-,18+/m110/s1.
What are the key properties of N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide?
N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 1613.05 g/mol, XLogP of 9.38, 23 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(3R,6S)-1-[5-carbamoyl-6-[(1-ethylpyrazol-4-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide;N-[(2R,3R)-1-[5-carbamoyl-6-[[1-(2-methylpropyl)pyrazol-4-yl]amino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 159258589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).