N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide

C16H22N4O2S — CID 95384795

IUPACN-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C16H22N4O2S/c1-2-3-11-23(21,22)19-14-7-6-8-15-13(14)12-18-20(15)16-9-4-5-10-17-16/h4-5,9-10,12,14,19H,2-3,6-8,11H2,1H3/t14-/m1/s1
InChIKeyVKTQGVAKBHHFNK-CQSZACIVSA-N
MW334.45 g/mol
LogP2.36
Rot. Bonds6

About N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide

N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide (PubChem CID 95384795) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide
PubChem CID95384795
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C16H22N4O2S/c1-2-3-11-23(21,22)19-14-7-6-8-15-13(14)12-18-20(15)16-9-4-5-10-17-16/h4-5,9-10,12,14,19H,2-3,6-8,11H2,1H3/t14-/m1/s1
InChIKeyVKTQGVAKBHHFNK-CQSZACIVSA-N
XLogP2.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 95857278
3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 110225912
2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
CID 45210671
N-[(2-chlorophenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45176390
1-ethyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384965
1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 45183884
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45169911
2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591527
1-ethyl-3-propan-2-yl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 97118953
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384654

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide (CID 95384795) is N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@@H]1CCCc2c1cnn2-c1ccccn1.
What is the InChIKey of N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide?
The InChIKey is VKTQGVAKBHHFNK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-2-3-11-23(21,22)19-14-7-6-8-15-13(14)12-18-20(15)16-9-4-5-10-17-16/h4-5,9-10,12,14,19H,2-3,6-8,11H2,1H3/t14-/m1/s1.
What are the key properties of N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide?
N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide has a molecular weight of 334.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 95384795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).