(7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide

C21H26N4O3 — CID 177063213

IUPAC(7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide
SMILESCn1ncc2c1[C@H](O)CC1(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC1)O2
InChIInChI=1S/C21H26N4O3/c1-24-19-17(26)12-21(28-18(19)13-22-24)7-9-25(10-8-21)20(27)23-16-11-15(16)14-5-3-2-4-6-14/h2-6,13,15-17,26H,7-12H2,1H3,(H,23,27)/t15-,16+,17+/m0/s1
InChIKeyQCHBHQWMDGNWQX-GVDBMIGSSA-N
MW382.46 g/mol
LogP2.34
Rot. Bonds2

About (7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide

(7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide (PubChem CID 177063213) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide
PubChem CID177063213
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide
SMILESCn1ncc2c1[C@H](O)CC1(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC1)O2
InChIInChI=1S/C21H26N4O3/c1-24-19-17(26)12-21(28-18(19)13-22-24)7-9-25(10-8-21)20(27)23-16-11-15(16)14-5-3-2-4-6-14/h2-6,13,15-17,26H,7-12H2,1H3,(H,23,27)/t15-,16+,17+/m0/s1
InChIKeyQCHBHQWMDGNWQX-GVDBMIGSSA-N
XLogP2.34
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide?
The IUPAC name of (7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide (CID 177063213) is (7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for (7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide?
The canonical SMILES for (7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide is Cn1ncc2c1[C@H](O)CC1(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC1)O2.
What is the InChIKey of (7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide?
The InChIKey is QCHBHQWMDGNWQX-GVDBMIGSSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-24-19-17(26)12-21(28-18(19)13-22-24)7-9-25(10-8-21)20(27)23-16-11-15(16)14-5-3-2-4-6-14/h2-6,13,15-17,26H,7-12H2,1H3,(H,23,27)/t15-,16+,17+/m0/s1.
What are the key properties of (7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide?
(7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-hydroxy-1-methyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6,7-dihydropyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 177063213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).