(5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C14H17BrN4OS — CID 129474634

IUPAC(5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2c1C[C@@H](CNCc1csc(Br)c1)CC2
InChIInChI=1S/C14H17BrN4OS/c15-13-4-10(8-21-13)6-17-5-9-1-2-19-12(3-9)11(7-18-19)14(16)20/h4,7-9,17H,1-3,5-6H2,(H2,16,20)/t9-/m0/s1
InChIKeyNSQMSUJQNWGDMP-VIFPVBQESA-N
MW369.29 g/mol
LogP2.16
Rot. Bonds5

About (5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

(5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 129474634) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is (5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID129474634
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name(5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2c1C[C@@H](CNCc1csc(Br)c1)CC2
InChIInChI=1S/C14H17BrN4OS/c15-13-4-10(8-21-13)6-17-5-9-1-2-19-12(3-9)11(7-18-19)14(16)20/h4,7-9,17H,1-3,5-6H2,(H2,16,20)/t9-/m0/s1
InChIKeyNSQMSUJQNWGDMP-VIFPVBQESA-N
XLogP2.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 100630985
5-[[(3-phenylmethoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128974725
N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 129479422
(5R)-5-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479397
(5S)-5-[[(2-ethoxy-5-nitrophenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129473237
4-[[(5-bromothiophen-3-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531721
5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128994905
(5R)-5-[[(3-chloro-5-cyano-2-pyridinyl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129474537
(5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129489612
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 120662690
morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
CID 129323519

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of (5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 129474634) is (5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for (5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for (5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is NC(=O)c1cnn2c1C[C@@H](CNCc1csc(Br)c1)CC2.
What is the InChIKey of (5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NSQMSUJQNWGDMP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17BrN4OS/c15-13-4-10(8-21-13)6-17-5-9-1-2-19-12(3-9)11(7-18-19)14(16)20/h4,7-9,17H,1-3,5-6H2,(H2,16,20)/t9-/m0/s1.
What are the key properties of (5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
(5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 369.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 129474634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).