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

C21H30N8O — CID 129156504

IUPAC3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CN(C3CCCC3)C2)c1
InChIInChI=1S/C21H30N8O/c22-20(30)19-21(26-18(11-23-19)27-8-4-1-5-9-27)25-15-10-24-29(12-15)17-13-28(14-17)16-6-2-3-7-16/h10-12,16-17H,1-9,13-14H2,(H2,22,30)(H,25,26)
InChIKeyUTPDJINSXXYJGQ-UHFFFAOYSA-N
MW410.53 g/mol
LogP2.31
Rot. Bonds6

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

3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 129156504) has the molecular formula C21H30N8O and a molecular weight of 410.53 g/mol. Its IUPAC name is 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID129156504
Molecular FormulaC21H30N8O
Molecular Weight410.53 g/mol
Exact Mass410.25
IUPAC Name3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CN(C3CCCC3)C2)c1
InChIInChI=1S/C21H30N8O/c22-20(30)19-21(26-18(11-23-19)27-8-4-1-5-9-27)25-15-10-24-29(12-15)17-13-28(14-17)16-6-2-3-7-16/h10-12,16-17H,1-9,13-14H2,(H2,22,30)(H,25,26)
InChIKeyUTPDJINSXXYJGQ-UHFFFAOYSA-N
XLogP2.31
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-[4-[[3-carbamoyl-6-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 118115760
5-[(3R)-3-aminopiperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[4-(1-cyclopentylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 157187349
5-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 129156598
4-(diethylamino)benzamide;3-[(1-methylpyrazol-4-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201182
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[(3R)-3-(dimethylcarbamoylamino)azepan-1-yl]pyrazine-2-carboxamide
CID 118114936
3-[4-(1-cyclopropyl-4-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;1-methylimidazolidin-2-one
CID 145201013
3-[4-(1-cyclopentylpiperidin-4-yl)anilino]-5-[3-(propanoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115244
3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 164762653
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[(3R)-3-(3-cyclopropyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114448
3-(1,3-benzothiazol-6-ylamino)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156581
3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156525
3-[4-(1-cyclopentylpiperidin-4-yl)oxyanilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 145201117

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide (CID 129156504) is 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide is NC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CN(C3CCCC3)C2)c1.
What is the InChIKey of 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is UTPDJINSXXYJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O/c22-20(30)19-21(26-18(11-23-19)27-8-4-1-5-9-27)25-15-10-24-29(12-15)17-13-28(14-17)16-6-2-3-7-16/h10-12,16-17H,1-9,13-14H2,(H2,22,30)(H,25,26).
What are the key properties of 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 410.53 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-cyclopentylazetidin-3-yl)pyrazol-4-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 129156504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).