(5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C22H23N5O2 — CID 129324677

IUPAC(5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2)c1ccccc1
InChIInChI=1S/C22H23N5O2/c1-26(18-7-3-2-4-8-18)22(29)19-15-25-27-11-9-16(12-20(19)27)13-24-21(28)17-6-5-10-23-14-17/h2-8,10,14-16H,9,11-13H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyQKZHGYLTPKAQPT-MRXNPFEDSA-N
MW389.46 g/mol
LogP2.55
Rot. Bonds5

About (5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 129324677) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID129324677
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2)c1ccccc1
InChIInChI=1S/C22H23N5O2/c1-26(18-7-3-2-4-8-18)22(29)19-15-25-27-11-9-16(12-20(19)27)13-24-21(28)17-6-5-10-23-14-17/h2-8,10,14-16H,9,11-13H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyQKZHGYLTPKAQPT-MRXNPFEDSA-N
XLogP2.55
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880
N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128970072
N-[[3-[3-(dimethylamino)azetidine-1-carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 128989056
N-[[(5R)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 129323478
N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128990675
(5S)-N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129324855
N-(2-fluoro-4-methylphenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128991086
N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924742
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
(5R)-5-(acetamidomethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129478908
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524

Frequently Asked Questions

What is the IUPAC name of (5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of (5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 129324677) is (5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for (5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for (5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CN(C(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2)c1ccccc1.
What is the InChIKey of (5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is QKZHGYLTPKAQPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26(18-7-3-2-4-8-18)22(29)19-15-25-27-11-9-16(12-20(19)27)13-24-21(28)17-6-5-10-23-14-17/h2-8,10,14-16H,9,11-13H2,1H3,(H,24,28)/t16-/m1/s1.
What are the key properties of (5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
(5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-methyl-N-phenyl-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 129324677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).