3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide

C20H20N4O2 — CID 95384794

IUPAC3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)c1
InChIInChI=1S/C20H20N4O2/c1-26-15-7-4-6-14(12-15)20(25)23-17-8-5-9-18-16(17)13-22-24(18)19-10-2-3-11-21-19/h2-4,6-7,10-13,17H,5,8-9H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyCZXPDTMPQSZCTA-KRWDZBQOSA-N
MW348.41 g/mol
LogP3.08
Rot. Bonds4

About 3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide

3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide (PubChem CID 95384794) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
PubChem CID95384794
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)c1
InChIInChI=1S/C20H20N4O2/c1-26-15-7-4-6-14(12-15)20(25)23-17-8-5-9-18-16(17)13-22-24(18)19-10-2-3-11-21-19/h2-4,6-7,10-13,17H,5,8-9H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyCZXPDTMPQSZCTA-KRWDZBQOSA-N
XLogP3.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
CID 42095333
3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
CID 95384792
1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384756
4-methyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-5-carboxamide
CID 95202854
5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384778
5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384654
(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
1-ethyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384965
1-ethyl-3-propan-2-yl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 97118953
5-(2-methylpropyl)-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 97142495
3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 155979875

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide (CID 95384794) is 3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide is COc1cccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccn2)c1.
What is the InChIKey of 3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The InChIKey is CZXPDTMPQSZCTA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-15-7-4-6-14(12-15)20(25)23-17-8-5-9-18-16(17)13-22-24(18)19-10-2-3-11-21-19/h2-4,6-7,10-13,17H,5,8-9H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of 3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide is sourced from PubChem (CID 95384794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).