2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide

C20H21N7O2 — CID 155123738

IUPAC2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
SMILESCCCCc1nc(-n2ncc3cc(C#N)cnc32)cc(NC2COC2)c1C(N)=O
InChIInChI=1S/C20H21N7O2/c1-2-3-4-15-18(19(22)28)16(25-14-10-29-11-14)6-17(26-15)27-20-13(9-24-27)5-12(7-21)8-23-20/h5-6,8-9,14H,2-4,10-11H2,1H3,(H2,22,28)(H,25,26)
InChIKeyPWDHLCZUUZWJFQ-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.94
Rot. Bonds7

About 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide

2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide (PubChem CID 155123738) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
PubChem CID155123738
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
SMILESCCCCc1nc(-n2ncc3cc(C#N)cnc32)cc(NC2COC2)c1C(N)=O
InChIInChI=1S/C20H21N7O2/c1-2-3-4-15-18(19(22)28)16(25-14-10-29-11-14)6-17(26-15)27-20-13(9-24-27)5-12(7-21)8-23-20/h5-6,8-9,14H,2-4,10-11H2,1H3,(H2,22,28)(H,25,26)
InChIKeyPWDHLCZUUZWJFQ-UHFFFAOYSA-N
XLogP1.94
TPSA131.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
CID 163400340
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(methylamino)pyridine-3-carboxamide
CID 171407015
1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406471
1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 138727745
1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737835
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 123641912
acetic acid;1-[4-(cyclopentylamino)-5-[4-[4-(hydroxymethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 174174938
4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206491
6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-N-(2-cyclopropylethyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
CID 118206375
tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid
CID 138694404
methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate
CID 135195588
1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 145219191

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide (CID 155123738) is 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide is CCCCc1nc(-n2ncc3cc(C#N)cnc32)cc(NC2COC2)c1C(N)=O.
What is the InChIKey of 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
The InChIKey is PWDHLCZUUZWJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-2-3-4-15-18(19(22)28)16(25-14-10-29-11-14)6-17(26-15)27-20-13(9-24-27)5-12(7-21)8-23-20/h5-6,8-9,14H,2-4,10-11H2,1H3,(H2,22,28)(H,25,26).
What are the key properties of 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?
2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 155123738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).