1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

C22H28N4O4S — CID 146069606

IUPAC1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCn1nc(C(=O)NCC2CC2)c2c1CC1(CCN(S(=O)(=O)c3ccccc3)CC1)OC2
InChIInChI=1S/C22H28N4O4S/c1-25-19-13-22(30-15-18(19)20(24-25)21(27)23-14-16-7-8-16)9-11-26(12-10-22)31(28,29)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,23,27)
InChIKeyXTBFOWOMRMASDZ-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.86
Rot. Bonds5

About 1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 146069606) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound Name1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID146069606
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCn1nc(C(=O)NCC2CC2)c2c1CC1(CCN(S(=O)(=O)c3ccccc3)CC1)OC2
InChIInChI=1S/C22H28N4O4S/c1-25-19-13-22(30-15-18(19)20(24-25)21(27)23-14-16-7-8-16)9-11-26(12-10-22)31(28,29)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,23,27)
InChIKeyXTBFOWOMRMASDZ-UHFFFAOYSA-N
XLogP1.86
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-1-methyl-1'-(1-methylpyrrole-2-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069573
N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069582
N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067914
N-(cyclopropylmethyl)-1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069585
1'-(3-methoxybenzoyl)-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146068271
N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069523
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 139008193
(5S)-N-(cyclopropylmethyl)-7-(4-fluorophenyl)sulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491251
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71935195
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066677
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[[benzyl(methyl)amino]methyl]benzamide
CID 60616235

Frequently Asked Questions

What is the IUPAC name of 1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of 1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (CID 146069606) is 1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.
What is the SMILES notation for 1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for 1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is Cn1nc(C(=O)NCC2CC2)c2c1CC1(CCN(S(=O)(=O)c3ccccc3)CC1)OC2.
What is the InChIKey of 1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is XTBFOWOMRMASDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-25-19-13-22(30-15-18(19)20(24-25)21(27)23-14-16-7-8-16)9-11-26(12-10-22)31(28,29)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,23,27).
What are the key properties of 1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 146069606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).