N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide

C21H26N4O2 — CID 77085723

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCC3(Cn4nc(C)cc4C)CC3)n(C)c2c1
InChIInChI=1S/C21H26N4O2/c1-14-9-15(2)25(23-14)13-21(7-8-21)12-22-20(26)19-10-16-5-6-17(27-4)11-18(16)24(19)3/h5-6,9-11H,7-8,12-13H2,1-4H3,(H,22,26)
InChIKeyATXBHVHBMOLDBV-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.21
Rot. Bonds6

About N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide (PubChem CID 77085723) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide
PubChem CID77085723
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCC3(Cn4nc(C)cc4C)CC3)n(C)c2c1
InChIInChI=1S/C21H26N4O2/c1-14-9-15(2)25(23-14)13-21(7-8-21)12-22-20(26)19-10-16-5-6-17(27-4)11-18(16)24(19)3/h5-6,9-11H,7-8,12-13H2,1-4H3,(H,22,26)
InChIKeyATXBHVHBMOLDBV-UHFFFAOYSA-N
XLogP3.21
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide (CID 77085723) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide is COc1ccc2cc(C(=O)NCC3(Cn4nc(C)cc4C)CC3)n(C)c2c1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide?
The InChIKey is ATXBHVHBMOLDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-9-15(2)25(23-14)13-21(7-8-21)12-22-20(26)19-10-16-5-6-17(27-4)11-18(16)24(19)3/h5-6,9-11H,7-8,12-13H2,1-4H3,(H,22,26).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 77085723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).