2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

C21H29N5O2 — CID 72870176

IUPAC2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCc1cc3n(n1)CCN(CC(C)C)C3)C(=O)CCC2
InChIInChI=1S/C21H29N5O2/c1-13(2)11-25-7-8-26-16(12-25)9-15(24-26)10-22-21(28)19-14(3)23-17-5-4-6-18(27)20(17)19/h9,13,23H,4-8,10-12H2,1-3H3,(H,22,28)
InChIKeyFJZWGBAPJBNEGC-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.44
Rot. Bonds5

About 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (PubChem CID 72870176) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
PubChem CID72870176
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCc1cc3n(n1)CCN(CC(C)C)C3)C(=O)CCC2
InChIInChI=1S/C21H29N5O2/c1-13(2)11-25-7-8-26-16(12-25)9-15(24-26)10-22-21(28)19-14(3)23-17-5-4-6-18(27)20(17)19/h9,13,23H,4-8,10-12H2,1-3H3,(H,22,28)
InChIKeyFJZWGBAPJBNEGC-UHFFFAOYSA-N
XLogP2.44
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide with MolForge

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Related Compounds

N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 118780334
1-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
CID 70777129
1-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 70715176
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 96576167
6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide
CID 72843031
2-(azocan-1-yl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
CID 70759919
3-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 70714349
N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]isoquinoline-1-carboxamide
CID 70730638
1-(2,3-dimethylphenyl)-3-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]urea
CID 70785805
(3R)-3-acetamido-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]butanamide
CID 96575779
2-(4-methoxyphenyl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
CID 70733345
N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 72892667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (CID 72870176) is 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is Cc1[nH]c2c(c1C(=O)NCc1cc3n(n1)CCN(CC(C)C)C3)C(=O)CCC2.
What is the InChIKey of 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The InChIKey is FJZWGBAPJBNEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-13(2)11-25-7-8-26-16(12-25)9-15(24-26)10-22-21(28)19-14(3)23-17-5-4-6-18(27)20(17)19/h9,13,23H,4-8,10-12H2,1-3H3,(H,22,28).
What are the key properties of 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 72870176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).