(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide

C17H22N4O — CID 95857278

IUPAC(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C17H22N4O/c1-3-12(2)17(22)20-14-7-6-8-15-13(14)11-19-21(15)16-9-4-5-10-18-16/h4-5,9-12,14H,3,6-8H2,1-2H3,(H,20,22)/t12-,14+/m1/s1
InChIKeyDTUSZDYTVHKFAU-OCCSQVGLSA-N
MW298.39 g/mol
LogP2.81
Rot. Bonds4

About (2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide

(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide (PubChem CID 95857278) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide
PubChem CID95857278
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1
InChIInChI=1S/C17H22N4O/c1-3-12(2)17(22)20-14-7-6-8-15-13(14)11-19-21(15)16-9-4-5-10-18-16/h4-5,9-12,14H,3,6-8H2,1-2H3,(H,20,22)/t12-,14+/m1/s1
InChIKeyDTUSZDYTVHKFAU-OCCSQVGLSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 110225912
2-(5-methylpyrazol-1-yl)-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731383
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-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
1-ethyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384965
5-(2-methylpropyl)-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 97142495
3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
CID 95384792
5-ethoxy-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384654
4-methyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-5-carboxamide
CID 95202854
1,5-dimethyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384756
3-methoxy-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 95384794
5-chloro-1-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
The IUPAC name of (2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide (CID 95857278) is (2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide.
What is the SMILES notation for (2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
The canonical SMILES for (2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide is CC[C@@H](C)C(=O)N[C@H]1CCCc2c1cnn2-c1ccccn1.
What is the InChIKey of (2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
The InChIKey is DTUSZDYTVHKFAU-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-12(2)17(22)20-14-7-6-8-15-13(14)11-19-21(15)16-9-4-5-10-18-16/h4-5,9-12,14H,3,6-8H2,1-2H3,(H,20,22)/t12-,14+/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide has a molecular weight of 298.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide is sourced from PubChem (CID 95857278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).