N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide

C27H40N6O2 — CID 118354824

IUPACN-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(CN2CCc3cc(-c4cnn(C(=O)NCC(C)C)c4)ccc32)CC1
InChIInChI=1S/C27H40N6O2/c1-19(2)14-28-26(34)31-10-7-21(8-11-31)17-32-12-9-23-13-22(5-6-25(23)32)24-16-30-33(18-24)27(35)29-15-20(3)4/h5-6,13,16,18-21H,7-12,14-15,17H2,1-4H3,(H,28,34)(H,29,35)
InChIKeyDUHVTORAAJKLLM-UHFFFAOYSA-N
MW480.66 g/mol
LogP4.20
Rot. Bonds7

About N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide

N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 118354824) has the molecular formula C27H40N6O2 and a molecular weight of 480.66 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide
PubChem CID118354824
Molecular FormulaC27H40N6O2
Molecular Weight480.66 g/mol
Exact Mass480.32
IUPAC NameN-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(CN2CCc3cc(-c4cnn(C(=O)NCC(C)C)c4)ccc32)CC1
InChIInChI=1S/C27H40N6O2/c1-19(2)14-28-26(34)31-10-7-21(8-11-31)17-32-12-9-23-13-22(5-6-25(23)32)24-16-30-33(18-24)27(35)29-15-20(3)4/h5-6,13,16,18-21H,7-12,14-15,17H2,1-4H3,(H,28,34)(H,29,35)
InChIKeyDUHVTORAAJKLLM-UHFFFAOYSA-N
XLogP4.20
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxamide
CID 118354891
N-(2-methylpropyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383985
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
CID 115106001
3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 123580966
phenyl-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118354970
(2R)-2-amino-1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119861404
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol
CID 117118731
4-(4-hydroxybenzoyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 86999128
(3S)-3-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 95775887
2-[1-(cyclopentylmethyl)-2,3-dihydroindol-5-yl]propan-1-amine
CID 117118942
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 86936569

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide (CID 118354824) is N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide is CC(C)CNC(=O)N1CCC(CN2CCc3cc(-c4cnn(C(=O)NCC(C)C)c4)ccc32)CC1.
What is the InChIKey of N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is DUHVTORAAJKLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O2/c1-19(2)14-28-26(34)31-10-7-21(8-11-31)17-32-12-9-23-13-22(5-6-25(23)32)24-16-30-33(18-24)27(35)29-15-20(3)4/h5-6,13,16,18-21H,7-12,14-15,17H2,1-4H3,(H,28,34)(H,29,35).
What are the key properties of N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide?
N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 480.66 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-[[5-[1-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 118354824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).