2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide

C21H31N5O — CID 146641775

IUPAC2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide
SMILESCCCn1nc(NC(=O)C(C)C)c2c1CCC(NCCc1cccnc1)C2
InChIInChI=1S/C21H31N5O/c1-4-12-26-19-8-7-17(23-11-9-16-6-5-10-22-14-16)13-18(19)20(25-26)24-21(27)15(2)3/h5-6,10,14-15,17,23H,4,7-9,11-13H2,1-3H3,(H,24,25,27)
InChIKeyVZKDINDPWIWRER-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.97
Rot. Bonds8

About 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide

2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide (PubChem CID 146641775) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide
PubChem CID146641775
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide
SMILESCCCn1nc(NC(=O)C(C)C)c2c1CCC(NCCc1cccnc1)C2
InChIInChI=1S/C21H31N5O/c1-4-12-26-19-8-7-17(23-11-9-16-6-5-10-22-14-16)13-18(19)20(25-26)24-21(27)15(2)3/h5-6,10,14-15,17,23H,4,7-9,11-13H2,1-3H3,(H,24,25,27)
InChIKeyVZKDINDPWIWRER-UHFFFAOYSA-N
XLogP2.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide with MolForge

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Related Compounds

piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45159093
[(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26134882
azepan-1-yl-[5-(2-phenylethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 158514378
[1-propyl-5-(3-pyridin-4-ylpropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45161746
[5-[2-(4-morpholin-4-ylphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 167341646
N-methyl-5-(2-methylpropylamino)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160989
1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161112
1-methyl-5-(3-methylbutylamino)-N-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165215
1-benzyl-N,N-dimethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165010
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-ethyl-5-[2-[(3-methyl-2-pyridinyl)amino]ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56721253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide (CID 146641775) is 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide is CCCn1nc(NC(=O)C(C)C)c2c1CCC(NCCc1cccnc1)C2.
What is the InChIKey of 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide?
The InChIKey is VZKDINDPWIWRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-4-12-26-19-8-7-17(23-11-9-16-6-5-10-22-14-16)13-18(19)20(25-26)24-21(27)15(2)3/h5-6,10,14-15,17,23H,4,7-9,11-13H2,1-3H3,(H,24,25,27).
What are the key properties of 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide?
2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]propanamide is sourced from PubChem (CID 146641775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).