1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

C26H35N5O2 — CID 146068291

IUPAC1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCCCNC(=O)c1nn(C)c2c1COC1(CCN(Cc3cn(CC)c4ccccc34)CC1)C2
InChIInChI=1S/C26H35N5O2/c1-4-12-27-25(32)24-21-18-33-26(15-23(21)29(3)28-24)10-13-30(14-11-26)16-19-17-31(5-2)22-9-7-6-8-20(19)22/h6-9,17H,4-5,10-16,18H2,1-3H3,(H,27,32)
InChIKeyQJMNOZLWTBQTKO-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.64
Rot. Bonds6

About 1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 146068291) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound Name1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID146068291
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCCCNC(=O)c1nn(C)c2c1COC1(CCN(Cc3cn(CC)c4ccccc34)CC1)C2
InChIInChI=1S/C26H35N5O2/c1-4-12-27-25(32)24-21-18-33-26(15-23(21)29(3)28-24)10-13-30(14-11-26)16-19-17-31(5-2)22-9-7-6-8-20(19)22/h6-9,17H,4-5,10-16,18H2,1-3H3,(H,27,32)
InChIKeyQJMNOZLWTBQTKO-UHFFFAOYSA-N
XLogP3.64
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
CID 146068259
N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069582
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
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
1-[(1-ethylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53117852
N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067914
N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069523
methyl 2-[3-[[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methyl]indol-1-yl]acetate
CID 16673704
N-(cyclopropylmethyl)-1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069585
N-hydroxy-2-[2-[(1-methylindol-3-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide
CID 162666012
N-cyclopropyl-1-methyl-1'-(4-methyl-1,3-oxazole-5-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069530

Frequently Asked Questions

What is the IUPAC name of 1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of 1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (CID 146068291) is 1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.
What is the SMILES notation for 1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for 1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is CCCNC(=O)c1nn(C)c2c1COC1(CCN(Cc3cn(CC)c4ccccc34)CC1)C2.
What is the InChIKey of 1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is QJMNOZLWTBQTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-4-12-27-25(32)24-21-18-33-26(15-23(21)29(3)28-24)10-13-30(14-11-26)16-19-17-31(5-2)22-9-7-6-8-20(19)22/h6-9,17H,4-5,10-16,18H2,1-3H3,(H,27,32).
What are the key properties of 1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-ethylindol-3-yl)methyl]-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 146068291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).