N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide

C24H28N6O3 — CID 95805220

IUPACN-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
SMILESCOc1cc(C(=O)N2CCC[C@H](c3nn(CCNC(=O)C4CC4)c4ncccc34)C2)ccn1
InChIInChI=1S/C24H28N6O3/c1-33-20-14-17(8-10-25-20)24(32)29-12-3-4-18(15-29)21-19-5-2-9-26-22(19)30(28-21)13-11-27-23(31)16-6-7-16/h2,5,8-10,14,16,18H,3-4,6-7,11-13,15H2,1H3,(H,27,31)/t18-/m0/s1
InChIKeyYMKHBFSPTYJTCS-SFHVURJKSA-N
MW448.53 g/mol
LogP2.38
Rot. Bonds7

About N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 95805220) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID95805220
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
SMILESCOc1cc(C(=O)N2CCC[C@H](c3nn(CCNC(=O)C4CC4)c4ncccc34)C2)ccn1
InChIInChI=1S/C24H28N6O3/c1-33-20-14-17(8-10-25-20)24(32)29-12-3-4-18(15-29)21-19-5-2-9-26-22(19)30(28-21)13-11-27-23(31)16-6-7-16/h2,5,8-10,14,16,18H,3-4,6-7,11-13,15H2,1H3,(H,27,31)/t18-/m0/s1
InChIKeyYMKHBFSPTYJTCS-SFHVURJKSA-N
XLogP2.38
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
CID 124970782
N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
CID 125025582
N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide
CID 92548855
N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550503
N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
CID 124997676
[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 92606474
[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 92558770
N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550481
N-[2-[3-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242203
N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242211
3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-[3-[(3R)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide
CID 92607910
N-[2-[3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242183

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide (CID 95805220) is N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide is COc1cc(C(=O)N2CCC[C@H](c3nn(CCNC(=O)C4CC4)c4ncccc34)C2)ccn1.
What is the InChIKey of N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is YMKHBFSPTYJTCS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-33-20-14-17(8-10-25-20)24(32)29-12-3-4-18(15-29)21-19-5-2-9-26-22(19)30(28-21)13-11-27-23(31)16-6-7-16/h2,5,8-10,14,16,18H,3-4,6-7,11-13,15H2,1H3,(H,27,31)/t18-/m0/s1.
What are the key properties of N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?
N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(3S)-1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 95805220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).