N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide

C17H23N5O2S — CID 129479422

IUPACN-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)cs1
InChIInChI=1S/C17H23N5O2S/c1-10(2)5-15-21-13(9-25-15)17(24)19-7-11-3-4-22-14(6-11)12(8-20-22)16(18)23/h8-11H,3-7H2,1-2H3,(H2,18,23)(H,19,24)/t11-/m0/s1
InChIKeyHMQBIHBTXIWDRP-NSHDSACASA-N
MW361.47 g/mol
LogP1.63
Rot. Bonds6

About N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide

N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 129479422) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID129479422
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)cs1
InChIInChI=1S/C17H23N5O2S/c1-10(2)5-15-21-13(9-25-15)17(24)19-7-11-3-4-22-14(6-11)12(8-20-22)16(18)23/h8-11H,3-7H2,1-2H3,(H2,18,23)(H,19,24)/t11-/m0/s1
InChIKeyHMQBIHBTXIWDRP-NSHDSACASA-N
XLogP1.63
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

5-(acetamidomethyl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 154754463
(5R)-5-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479397
(5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129474634
(5R)-N-propan-2-yl-5-[(thiophene-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129324176
5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
(5S)-5-[[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129489612
N-[2-(methylamino)propyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 120829137
(5S)-5-[[(4-cyanobenzoyl)amino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129325025
5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880
5-[[[amino(diethylamino)methylidene]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 120662690
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119611593

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 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) is N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide is CC(C)Cc1nc(C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)cs1.
What is the InChIKey of N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HMQBIHBTXIWDRP-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-10(2)5-15-21-13(9-25-15)17(24)19-7-11-3-4-22-14(6-11)12(8-20-22)16(18)23/h8-11H,3-7H2,1-2H3,(H2,18,23)(H,19,24)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 129479422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).