N-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide

C31H36N8O2 — CID 140930432

IUPACN-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide
SMILESC[C@@H]1[C@H](NC(=O)c2cc3c(n2C)CC(C)(C)C3)CCCN1c1cnc(C(N)=O)c(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C31H36N8O2/c1-18-22(36-30(41)24-14-20-15-31(2,3)16-25(20)38(24)4)8-6-12-39(18)26-17-34-27(28(32)40)29(37-26)35-21-9-10-23-19(13-21)7-5-11-33-23/h5,7,9-11,13-14,17-18,22H,6,8,12,15-16H2,1-4H3,(H2,32,40)(H,35,37)(H,36,41)/t18-,22-/m1/s1
InChIKeyWEWLRPPUUSMMGB-XMSQKQJNSA-N
MW552.68 g/mol
LogP4.12
Rot. Bonds6

About N-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)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-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide (PubChem CID 140930432) has the molecular formula C31H36N8O2 and a molecular weight of 552.68 g/mol. Its IUPAC name is N-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)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-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide
PubChem CID140930432
Molecular FormulaC31H36N8O2
Molecular Weight552.68 g/mol
Exact Mass552.30
IUPAC NameN-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide
SMILESC[C@@H]1[C@H](NC(=O)c2cc3c(n2C)CC(C)(C)C3)CCCN1c1cnc(C(N)=O)c(Nc2ccc3ncccc3c2)n1
InChIInChI=1S/C31H36N8O2/c1-18-22(36-30(41)24-14-20-15-31(2,3)16-25(20)38(24)4)8-6-12-39(18)26-17-34-27(28(32)40)29(37-26)35-21-9-10-23-19(13-21)7-5-11-33-23/h5,7,9-11,13-14,17-18,22H,6,8,12,15-16H2,1-4H3,(H2,32,40)(H,35,37)(H,36,41)/t18-,22-/m1/s1
InChIKeyWEWLRPPUUSMMGB-XMSQKQJNSA-N
XLogP4.12
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.68
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide with MolForge

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Related Compounds

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
5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-(quinolin-7-ylamino)pyrazine-2-carboxamide
CID 158002452
5-[(2S,3R)-3-benzamido-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 118114547
5-[(2R,3R)-3-[(4-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[4-(4-methyl-3-oxopiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 135361944
5-[(2R,3R)-3-[(2-cyclopropylbenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1,3-dimethylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 156628547
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[3-(dimethylcarbamoylamino)-2-methylpiperidin-1-yl]pyrazine-2-carboxamide
CID 123227868
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 158599774
3-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 72705614
3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-2-methyl-3-(2-oxobut-3-enyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 161282737
3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3S)-3-[2-(dimethylamino)-2-oxoethyl]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide
CID 158937659
5-[(2R,3S)-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 159103982
5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 161025913

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)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-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide (CID 140930432) is N-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)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-(quinolin-6-ylamino)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-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide is C[C@@H]1[C@H](NC(=O)c2cc3c(n2C)CC(C)(C)C3)CCCN1c1cnc(C(N)=O)c(Nc2ccc3ncccc3c2)n1.
What is the InChIKey of N-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide?
The InChIKey is WEWLRPPUUSMMGB-XMSQKQJNSA-N. The full InChI is InChI=1S/C31H36N8O2/c1-18-22(36-30(41)24-14-20-15-31(2,3)16-25(20)38(24)4)8-6-12-39(18)26-17-34-27(28(32)40)29(37-26)35-21-9-10-23-19(13-21)7-5-11-33-23/h5,7,9-11,13-14,17-18,22H,6,8,12,15-16H2,1-4H3,(H2,32,40)(H,35,37)(H,36,41)/t18-,22-/m1/s1.
What are the key properties of N-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)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-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide has a molecular weight of 552.68 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-[5-carbamoyl-6-(quinolin-6-ylamino)pyrazin-2-yl]-2-methylpiperidin-3-yl]-1,5,5-trimethyl-4,6-dihydrocyclopenta[b]pyrrole-2-carboxamide is sourced from PubChem (CID 140930432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).