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

C24H36N10O2 — CID 118114721

IUPAC3-[[1-(1-cyclopentylazetidin-3-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(C4CN(C5CCCC5)C4)c3)n2)C1
InChIInChI=1S/C24H36N10O2/c1-31(2)24(36)29-16-6-5-9-32(12-16)20-11-26-21(22(25)35)23(30-20)28-17-10-27-34(13-17)19-14-33(15-19)18-7-3-4-8-18/h10-11,13,16,18-19H,3-9,12,14-15H2,1-2H3,(H2,25,35)(H,28,30)(H,29,36)/t16-/m1/s1
InChIKeyHEJMJEVSIIMKLI-MRXNPFEDSA-N
MW496.62 g/mol
LogP1.55
Rot. Bonds7

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

3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 118114721) has the molecular formula C24H36N10O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID118114721
Molecular FormulaC24H36N10O2
Molecular Weight496.62 g/mol
Exact Mass496.30
IUPAC Name3-[[1-(1-cyclopentylazetidin-3-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(C4CN(C5CCCC5)C4)c3)n2)C1
InChIInChI=1S/C24H36N10O2/c1-31(2)24(36)29-16-6-5-9-32(12-16)20-11-26-21(22(25)35)23(30-20)28-17-10-27-34(13-17)19-14-33(15-19)18-7-3-4-8-18/h10-11,13,16,18-19H,3-9,12,14-15H2,1-2H3,(H2,25,35)(H,28,30)(H,29,36)/t16-/m1/s1
InChIKeyHEJMJEVSIIMKLI-MRXNPFEDSA-N
XLogP1.55
TPSA137.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-(azetidin-1-yl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54761820
3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide
CID 53482433
3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide
CID 53482434
US9656988, Example 217
CID 118114664
US9656988, Example 219
CID 118114892
US9656988, Example 216
CID 118114914
US9656988, Example 218
CID 118115761
(3-Aminopyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 53597803
3-[(2R,3R)-2-methylpyrrolidin-3-yl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pteridin-4-one
CID 178972743
5-Piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
CID 145201100
3-[[1-(4,4-Difluorocyclohexyl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201126
5-(4-Fluoropiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 145201394

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide (CID 118114721) is 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[[1-(1-cyclopentylazetidin-3-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(C4CN(C5CCCC5)C4)c3)n2)C1.
What is the InChIKey of 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is HEJMJEVSIIMKLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H36N10O2/c1-31(2)24(36)29-16-6-5-9-32(12-16)20-11-26-21(22(25)35)23(30-20)28-17-10-27-34(13-17)19-14-33(15-19)18-7-3-4-8-18/h10-11,13,16,18-19H,3-9,12,14-15H2,1-2H3,(H2,25,35)(H,28,30)(H,29,36)/t16-/m1/s1.
What are the key properties of 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide?
3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 496.62 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118114721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).