N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C18H25N5O2S — CID 164638031

IUPACN-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1nc(CN2CC[C@H](NC(=O)c3n[nH]c4c3CCCC4)[C@@H](O)C2)cs1
InChIInChI=1S/C18H25N5O2S/c1-11-19-12(10-26-11)8-23-7-6-15(16(24)9-23)20-18(25)17-13-4-2-3-5-14(13)21-22-17/h10,15-16,24H,2-9H2,1H3,(H,20,25)(H,21,22)/t15-,16-/m0/s1
InChIKeySWGGIYYZFXHKQT-HOTGVXAUSA-N
MW375.50 g/mol
LogP1.42
Rot. Bonds4

About N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 164638031) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID164638031
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1nc(CN2CC[C@H](NC(=O)c3n[nH]c4c3CCCC4)[C@@H](O)C2)cs1
InChIInChI=1S/C18H25N5O2S/c1-11-19-12(10-26-11)8-23-7-6-15(16(24)9-23)20-18(25)17-13-4-2-3-5-14(13)21-22-17/h10,15-16,24H,2-9H2,1H3,(H,20,25)(H,21,22)/t15-,16-/m0/s1
InChIKeySWGGIYYZFXHKQT-HOTGVXAUSA-N
XLogP1.42
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 164638031) is N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1nc(CN2CC[C@H](NC(=O)c3n[nH]c4c3CCCC4)[C@@H](O)C2)cs1.
What is the InChIKey of N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is SWGGIYYZFXHKQT-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-11-19-12(10-26-11)8-23-7-6-15(16(24)9-23)20-18(25)17-13-4-2-3-5-14(13)21-22-17/h10,15-16,24H,2-9H2,1H3,(H,20,25)(H,21,22)/t15-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 164638031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).