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

C21H24N4O3 — CID 177063229

IUPAC1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide
SMILESCn1ncc2c1C(=O)CC1(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC1)O2
InChIInChI=1S/C21H24N4O3/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/h2-6,13,15-16H,7-12H2,1H3,(H,23,27)/t15-,16+/m0/s1
InChIKeySANLBAYGPWFPIH-JKSUJKDBSA-N
MW380.45 g/mol
LogP2.49
Rot. Bonds2

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

1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide (PubChem CID 177063229) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide
PubChem CID177063229
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide
SMILESCn1ncc2c1C(=O)CC1(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC1)O2
InChIInChI=1S/C21H24N4O3/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/h2-6,13,15-16H,7-12H2,1H3,(H,23,27)/t15-,16+/m0/s1
InChIKeySANLBAYGPWFPIH-JKSUJKDBSA-N
XLogP2.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
6-fluoro-N-(2-phenylcyclopropyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 75051608
6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 44583234
2-methanimidoyl-4-oxo-N-(2-phenylcyclopropyl)-3-(propan-2-ylamino)-1-oxa-9-azaspiro[5.5]undec-2-ene-9-carboxamide
CID 177063224
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
CID 23790831
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
CID 126472023
5-amino-1-methyl-N-(2-phenylcyclopropyl)pyrazole-4-carboxamide
CID 115330669
4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide
CID 95196037
N-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46353341
1-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-phenylpyrazole-4-carboxamide
CID 155946672

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide (CID 177063229) is 1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide is Cn1ncc2c1C(=O)CC1(CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC1)O2.
What is the InChIKey of 1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide?
The InChIKey is SANLBAYGPWFPIH-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H24N4O3/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/h2-6,13,15-16H,7-12H2,1H3,(H,23,27)/t15-,16+/m0/s1.
What are the key properties of 1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide?
1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-oxo-N-[(1R,2S)-2-phenylcyclopropyl]spiro[6H-pyrano[2,3-d]pyrazole-5,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 177063229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).