3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide

C25H36N10O3 — CID 118114892

IUPAC3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3cnn(C4CCN(C(=O)C5CC5)CC4)c3)n2)C1
InChIInChI=1S/C25H36N10O3/c1-32(2)25(38)30-17-4-3-9-34(14-17)20-13-27-21(22(26)36)23(31-20)29-18-12-28-35(15-18)19-7-10-33(11-8-19)24(37)16-5-6-16/h12-13,15-17,19H,3-11,14H2,1-2H3,(H2,26,36)(H,29,31)(H,30,38)/t17-/m1/s1
InChIKeyRDBFWDTVOKUUGE-QGZVFWFLSA-N
MW524.63 g/mol
LogP1.33
Rot. Bonds7

About 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide

3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 118114892) has the molecular formula C25H36N10O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID118114892
Molecular FormulaC25H36N10O3
Molecular Weight524.63 g/mol
Exact Mass524.30
IUPAC Name3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3cnn(C4CCN(C(=O)C5CC5)CC4)c3)n2)C1
InChIInChI=1S/C25H36N10O3/c1-32(2)25(38)30-17-4-3-9-34(14-17)20-13-27-21(22(26)36)23(31-20)29-18-12-28-35(15-18)19-7-10-33(11-8-19)24(37)16-5-6-16/h12-13,15-17,19H,3-11,14H2,1-2H3,(H2,26,36)(H,29,31)(H,30,38)/t17-/m1/s1
InChIKeyRDBFWDTVOKUUGE-QGZVFWFLSA-N
XLogP1.33
TPSA154.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.63
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide (CID 118114892) is 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide is CN(C)C(=O)N[C@@H]1CCCN(c2cnc(C(N)=O)c(Nc3cnn(C4CCN(C(=O)C5CC5)CC4)c3)n2)C1.
What is the InChIKey of 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is RDBFWDTVOKUUGE-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H36N10O3/c1-32(2)25(38)30-17-4-3-9-34(14-17)20-13-27-21(22(26)36)23(31-20)29-18-12-28-35(15-18)19-7-10-33(11-8-19)24(37)16-5-6-16/h12-13,15-17,19H,3-11,14H2,1-2H3,(H2,26,36)(H,29,31)(H,30,38)/t17-/m1/s1.
What are the key properties of 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 524.63 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118114892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).