N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide

C21H23N5O2 — CID 177372669

IUPACN-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide
SMILESCOc1ccc2cc(-c3n[nH]c4c3C3(CCC3)N(C(=O)NC3CC3)C4)[nH]c2c1
InChIInChI=1S/C21H23N5O2/c1-28-14-6-3-12-9-16(23-15(12)10-14)19-18-17(24-25-19)11-26(21(18)7-2-8-21)20(27)22-13-4-5-13/h3,6,9-10,13,23H,2,4-5,7-8,11H2,1H3,(H,22,27)(H,24,25)
InChIKeyFPCKVVFFBVSDQE-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.63
Rot. Bonds3

About N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide

N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide (PubChem CID 177372669) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide
PubChem CID177372669
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide
SMILESCOc1ccc2cc(-c3n[nH]c4c3C3(CCC3)N(C(=O)NC3CC3)C4)[nH]c2c1
InChIInChI=1S/C21H23N5O2/c1-28-14-6-3-12-9-16(23-15(12)10-14)19-18-17(24-25-19)11-26(21(18)7-2-8-21)20(27)22-13-4-5-13/h3,6,9-10,13,23H,2,4-5,7-8,11H2,1H3,(H,22,27)(H,24,25)
InChIKeyFPCKVVFFBVSDQE-UHFFFAOYSA-N
XLogP3.63
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide (CID 177372669) is N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide is COc1ccc2cc(-c3n[nH]c4c3C3(CCC3)N(C(=O)NC3CC3)C4)[nH]c2c1.
What is the InChIKey of N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide?
The InChIKey is FPCKVVFFBVSDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-14-6-3-12-9-16(23-15(12)10-14)19-18-17(24-25-19)11-26(21(18)7-2-8-21)20(27)22-13-4-5-13/h3,6,9-10,13,23H,2,4-5,7-8,11H2,1H3,(H,22,27)(H,24,25).
What are the key properties of N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide?
N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(6-methoxy-1H-indol-2-yl)spiro[1,6-dihydropyrrolo[3,4-c]pyrazole-4,1'-cyclobutane]-5-carboxamide is sourced from PubChem (CID 177372669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).