N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

C23H27FN4O4 — CID 146069523

IUPACN-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)c2c1CC1(CCN(C(=O)COc3ccc(F)cc3)CC1)OC2
InChIInChI=1S/C23H27FN4O4/c1-27-19-12-23(32-13-18(19)21(26-27)22(30)25-16-4-5-16)8-10-28(11-9-23)20(29)14-31-17-6-2-15(24)3-7-17/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,25,30)
InChIKeyGSCNAJPGWSRWCD-UHFFFAOYSA-N
MW442.49 g/mol
LogP1.96
Rot. Bonds5

About N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 146069523) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID146069523
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC NameN-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)c2c1CC1(CCN(C(=O)COc3ccc(F)cc3)CC1)OC2
InChIInChI=1S/C23H27FN4O4/c1-27-19-12-23(32-13-18(19)21(26-27)22(30)25-16-4-5-16)8-10-28(11-9-23)20(29)14-31-17-6-2-15(24)3-7-17/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,25,30)
InChIKeyGSCNAJPGWSRWCD-UHFFFAOYSA-N
XLogP1.96
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-methyl-1'-(1-methylpyrrole-2-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069573
N-(cyclopropylmethyl)-1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069585
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
CID 110822979
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069582
[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone
CID 146068229
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
5-[2-(4-chlorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066561
1-cyclopropyl-3-ethyl-1-[9-[2-(4-fluorophenoxy)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 91909261
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (CID 146069523) is N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is Cn1nc(C(=O)NC2CC2)c2c1CC1(CCN(C(=O)COc3ccc(F)cc3)CC1)OC2.
What is the InChIKey of N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is GSCNAJPGWSRWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-27-19-12-23(32-13-18(19)21(26-27)22(30)25-16-4-5-16)8-10-28(11-9-23)20(29)14-31-17-6-2-15(24)3-7-17/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,25,30).
What are the key properties of N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 146069523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).