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

C21H28N4O3 — CID 146069582

IUPACN-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCn1nc(C(=O)NCC2CC2)c2c1CC1(CCN(Cc3ccoc3)CC1)OC2
InChIInChI=1S/C21H28N4O3/c1-24-18-10-21(5-7-25(8-6-21)12-16-4-9-27-13-16)28-14-17(18)19(23-24)20(26)22-11-15-2-3-15/h4,9,13,15H,2-3,5-8,10-12,14H2,1H3,(H,22,26)
InChIKeyIYJWWJQBWIPZDG-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.26
Rot. Bonds5

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

N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 146069582) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID146069582
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCn1nc(C(=O)NCC2CC2)c2c1CC1(CCN(Cc3ccoc3)CC1)OC2
InChIInChI=1S/C21H28N4O3/c1-24-18-10-21(5-7-25(8-6-21)12-16-4-9-27-13-16)28-14-17(18)19(23-24)20(26)22-11-15-2-3-15/h4,9,13,15H,2-3,5-8,10-12,14H2,1H3,(H,22,26)
InChIKeyIYJWWJQBWIPZDG-UHFFFAOYSA-N
XLogP2.26
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069606
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-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069600
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
N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850234
N,N,1-trimethyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146070536
1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146068291
N-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131910543
N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069523
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132
(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97477123

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (CID 146069582) is N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is Cn1nc(C(=O)NCC2CC2)c2c1CC1(CCN(Cc3ccoc3)CC1)OC2.
What is the InChIKey of N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is IYJWWJQBWIPZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-24-18-10-21(5-7-25(8-6-21)12-16-4-9-27-13-16)28-14-17(18)19(23-24)20(26)22-11-15-2-3-15/h4,9,13,15H,2-3,5-8,10-12,14H2,1H3,(H,22,26).
What are the key properties of N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 146069582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).