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

C23H26F2N4O3 — CID 146067914

IUPACN-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCn1nc(C(=O)NCC2CC2)c2c1CC1(CCN(C(=O)c3ccc(F)cc3F)CC1)OC2
InChIInChI=1S/C23H26F2N4O3/c1-28-19-11-23(32-13-17(19)20(27-28)21(30)26-12-14-2-3-14)6-8-29(9-7-23)22(31)16-5-4-15(24)10-18(16)25/h4-5,10,14H,2-3,6-9,11-13H2,1H3,(H,26,30)
InChIKeyMJJLVYNMSALVST-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.59
Rot. Bonds4

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

N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 146067914) has the molecular formula C23H26F2N4O3 and a molecular weight of 444.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID146067914
Molecular FormulaC23H26F2N4O3
Molecular Weight444.48 g/mol
Exact Mass444.20
IUPAC NameN-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCn1nc(C(=O)NCC2CC2)c2c1CC1(CCN(C(=O)c3ccc(F)cc3F)CC1)OC2
InChIInChI=1S/C23H26F2N4O3/c1-28-19-11-23(32-13-17(19)20(27-28)21(30)26-12-14-2-3-14)6-8-29(9-7-23)22(31)16-5-4-15(24)10-18(16)25/h4-5,10,14H,2-3,6-9,11-13H2,1H3,(H,26,30)
InChIKeyMJJLVYNMSALVST-UHFFFAOYSA-N
XLogP2.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069585
N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069582
N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069523
1'-(3-methoxybenzoyl)-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146068271
[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
1-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-3-morpholin-4-ylpropan-1-one
CID 146068242
N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579518
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
(3S)-4-benzoyl-8-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137389
N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95320812

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (CID 146067914) is N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is Cn1nc(C(=O)NCC2CC2)c2c1CC1(CCN(C(=O)c3ccc(F)cc3F)CC1)OC2.
What is the InChIKey of N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is MJJLVYNMSALVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O3/c1-28-19-11-23(32-13-17(19)20(27-28)21(30)26-12-14-2-3-14)6-8-29(9-7-23)22(31)16-5-4-15(24)10-18(16)25/h4-5,10,14H,2-3,6-9,11-13H2,1H3,(H,26,30).
What are the key properties of N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 146067914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).