3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide

C18H17N5O2 — CID 97146261

IUPAC3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)c1ncccc1O
InChIInChI=1S/C18H17N5O2/c24-15-7-4-10-20-17(15)18(25)22-13-5-3-6-14-12(13)11-21-23(14)16-8-1-2-9-19-16/h1-2,4,7-11,13,24H,3,5-6H2,(H,22,25)/t13-/m0/s1
InChIKeyKQPVZLOJAZHPFH-ZDUSSCGKSA-N
MW335.37 g/mol
LogP2.18
Rot. Bonds3

About 3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide

3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (PubChem CID 97146261) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
PubChem CID97146261
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)c1ncccc1O
InChIInChI=1S/C18H17N5O2/c24-15-7-4-10-20-17(15)18(25)22-13-5-3-6-14-12(13)11-21-23(14)16-8-1-2-9-19-16/h1-2,4,7-11,13,24H,3,5-6H2,(H,22,25)/t13-/m0/s1
InChIKeyKQPVZLOJAZHPFH-ZDUSSCGKSA-N
XLogP2.18
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (CID 97146261) is 3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The InChIKey is KQPVZLOJAZHPFH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-15-7-4-10-20-17(15)18(25)22-13-5-3-6-14-12(13)11-21-23(14)16-8-1-2-9-19-16/h1-2,4,7-11,13,24H,3,5-6H2,(H,22,25)/t13-/m0/s1.
What are the key properties of 3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 97146261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).