N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide

C23H23N5O2 — CID 46881796

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12
InChIInChI=1S/C23H23N5O2/c29-22(18-3-2-12-24-15-18)16-25-13-10-17-6-8-19(9-7-17)27-23(30)21-5-1-4-20-11-14-26-28(20)21/h1-9,11-12,14-15,22,25,29H,10,13,16H2,(H,27,30)/t22-/m0/s1
InChIKeyXHNDFNBWFFSSFS-QFIPXVFZSA-N
MW401.47 g/mol
LogP2.85
Rot. Bonds8

About N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 46881796) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID46881796
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12
InChIInChI=1S/C23H23N5O2/c29-22(18-3-2-12-24-15-18)16-25-13-10-17-6-8-19(9-7-17)27-23(30)21-5-1-4-20-11-14-26-28(20)21/h1-9,11-12,14-15,22,25,29H,10,13,16H2,(H,27,30)/t22-/m0/s1
InChIKeyXHNDFNBWFFSSFS-QFIPXVFZSA-N
XLogP2.85
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663151
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663182
5-[4-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 146240883
5-[5-(hydroxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 146243619
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146487675
4-[[4-(5-carbamoyl-3-pyridinyl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146487777
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(6-methyl-2-pyridinyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146487795
N-[(1R,2R)-2-hydroxycyclohexyl]-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146552409

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide (CID 46881796) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide is O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is XHNDFNBWFFSSFS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-22(18-3-2-12-24-15-18)16-25-13-10-17-6-8-19(9-7-17)27-23(30)21-5-1-4-20-11-14-26-28(20)21/h1-9,11-12,14-15,22,25,29H,10,13,16H2,(H,27,30)/t22-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]pyrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 46881796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).