N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide

C24H28N6O3 — CID 155455830

IUPACN-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide
SMILESCOc1cc(-c2ccc(N3CCC(NC(=O)CC(C)C)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H28N6O3/c1-15(2)8-23(32)28-20-6-7-29(14-21(20)31)22-5-4-16(11-26-22)19-9-18(33-3)13-30-24(19)17(10-25)12-27-30/h4-5,9,11-13,15,20-21,31H,6-8,14H2,1-3H3,(H,28,32)/t20?,21-/m0/s1
InChIKeyUJBPZSXCXJRCCH-LBAQZLPGSA-N
MW448.53 g/mol
LogP2.38
Rot. Bonds6

About N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide

N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide (PubChem CID 155455830) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide
PubChem CID155455830
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide
SMILESCOc1cc(-c2ccc(N3CCC(NC(=O)CC(C)C)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H28N6O3/c1-15(2)8-23(32)28-20-6-7-29(14-21(20)31)22-5-4-16(11-26-22)19-9-18(33-3)13-30-24(19)17(10-25)12-27-30/h4-5,9,11-13,15,20-21,31H,6-8,14H2,1-3H3,(H,28,32)/t20?,21-/m0/s1
InChIKeyUJBPZSXCXJRCCH-LBAQZLPGSA-N
XLogP2.38
TPSA115.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496998
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496805
2-chloro-N-[(3R,4S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-6-fluorobenzamide
CID 134435678
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
6-ethoxy-4-[6-[(3S,4S)-4-methyl-3-(methylamino)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435641
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl] N-propan-2-ylcarbamate
CID 134435384
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134497288
6-methoxy-4-[6-[4-[(3S)-3-methoxypyrrolidine-1-carbonyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134437008

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide (CID 155455830) is N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide is COc1cc(-c2ccc(N3CCC(NC(=O)CC(C)C)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide?
The InChIKey is UJBPZSXCXJRCCH-LBAQZLPGSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15(2)8-23(32)28-20-6-7-29(14-21(20)31)22-5-4-16(11-26-22)19-9-18(33-3)13-30-24(19)17(10-25)12-27-30/h4-5,9,11-13,15,20-21,31H,6-8,14H2,1-3H3,(H,28,32)/t20?,21-/m0/s1.
What are the key properties of N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide?
N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide has a molecular weight of 448.53 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 155455830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).