3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile

C38H38N12O — CID 67379190

IUPAC3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESCC(=O)N1CCCC(Nc2cccc(-c3cnn4ccc(C#N)cc34)n2)C1.N#Cc1ccn2ncc(-c3cccc(N[C@H]4CCCNC4)n3)c2c1
InChIInChI=1S/C20H20N6O.C18H18N6/c1-14(27)25-8-3-4-16(13-25)23-20-6-2-5-18(24-20)17-12-22-26-9-7-15(11-21)10-19(17)26;19-10-13-6-8-24-17(9-13)15(12-21-24)16-4-1-5-18(23-16)22-14-3-2-7-20-11-14/h2,5-7,9-10,12,16H,3-4,8,13H2,1H3,(H,23,24);1,4-6,8-9,12,14,20H,2-3,7,11H2,(H,22,23)/t;14-/m.0/s1
InChIKeyWDTHUYNJOLAJEU-SYHXRIJYSA-N
MW678.81 g/mol
LogP5.12
Rot. Bonds6

About 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile

3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile (PubChem CID 67379190) has the molecular formula C38H38N12O and a molecular weight of 678.81 g/mol. Its IUPAC name is 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
PubChem CID67379190
Molecular FormulaC38H38N12O
Molecular Weight678.81 g/mol
Exact Mass678.33
IUPAC Name3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESCC(=O)N1CCCC(Nc2cccc(-c3cnn4ccc(C#N)cc34)n2)C1.N#Cc1ccn2ncc(-c3cccc(N[C@H]4CCCNC4)n3)c2c1
InChIInChI=1S/C20H20N6O.C18H18N6/c1-14(27)25-8-3-4-16(13-25)23-20-6-2-5-18(24-20)17-12-22-26-9-7-15(11-21)10-19(17)26;19-10-13-6-8-24-17(9-13)15(12-21-24)16-4-1-5-18(23-16)22-14-3-2-7-20-11-14/h2,5-7,9-10,12,16H,3-4,8,13H2,1H3,(H,23,24);1,4-6,8-9,12,14,20H,2-3,7,11H2,(H,22,23)/t;14-/m.0/s1
InChIKeyWDTHUYNJOLAJEU-SYHXRIJYSA-N
XLogP5.12
TPSA164.36 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500678.81
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The IUPAC name of 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile (CID 67379190) is 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile.
What is the SMILES notation for 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The canonical SMILES for 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile is CC(=O)N1CCCC(Nc2cccc(-c3cnn4ccc(C#N)cc34)n2)C1.N#Cc1ccn2ncc(-c3cccc(N[C@H]4CCCNC4)n3)c2c1.
What is the InChIKey of 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The InChIKey is WDTHUYNJOLAJEU-SYHXRIJYSA-N. The full InChI is InChI=1S/C20H20N6O.C18H18N6/c1-14(27)25-8-3-4-16(13-25)23-20-6-2-5-18(24-20)17-12-22-26-9-7-15(11-21)10-19(17)26;19-10-13-6-8-24-17(9-13)15(12-21-24)16-4-1-5-18(23-16)22-14-3-2-7-20-11-14/h2,5-7,9-10,12,16H,3-4,8,13H2,1H3,(H,23,24);1,4-6,8-9,12,14,20H,2-3,7,11H2,(H,22,23)/t;14-/m.0/s1.
What are the key properties of 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile has a molecular weight of 678.81 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1-acetylpiperidin-3-yl)amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile;3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile is sourced from PubChem (CID 67379190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).