(1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone

C29H32N6O3 — CID 150433553

IUPAC(1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone
SMILESCCOc1cc(C(=O)N2CCC3(CCc4cc(-c5nn[nH]n5)ccc4O3)CC2)cc2c1c(C)cn2C1CC1
InChIInChI=1S/C29H32N6O3/c1-3-37-25-16-21(15-23-26(25)18(2)17-35(23)22-5-6-22)28(36)34-12-10-29(11-13-34)9-8-19-14-20(4-7-24(19)38-29)27-30-32-33-31-27/h4,7,14-17,22H,3,5-6,8-13H2,1-2H3,(H,30,31,32,33)
InChIKeyHKGYUWFDBUZZGY-UHFFFAOYSA-N
MW512.61 g/mol
LogP4.86
Rot. Bonds5

About (1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone

(1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone (PubChem CID 150433553) has the molecular formula C29H32N6O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is (1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name(1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone
PubChem CID150433553
Molecular FormulaC29H32N6O3
Molecular Weight512.61 g/mol
Exact Mass512.25
IUPAC Name(1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone
SMILESCCOc1cc(C(=O)N2CCC3(CCc4cc(-c5nn[nH]n5)ccc4O3)CC2)cc2c1c(C)cn2C1CC1
InChIInChI=1S/C29H32N6O3/c1-3-37-25-16-21(15-23-26(25)18(2)17-35(23)22-5-6-22)28(36)34-12-10-29(11-13-34)9-8-19-14-20(4-7-24(19)38-29)27-30-32-33-31-27/h4,7,14-17,22H,3,5-6,8-13H2,1-2H3,(H,30,31,32,33)
InChIKeyHKGYUWFDBUZZGY-UHFFFAOYSA-N
XLogP4.86
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-cyclopropyl-7-ethoxy-1,3-benzoxazol-5-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone
CID 154485202
CID 66649463
CID 66649463
N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide
CID 24965392
1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143724545
5-[1'-(1-cyclopropyl-4-methoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid
CID 24964679
[1-cyclopropyl-4-ethoxy-6-[6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]indol-3-yl] hydrogen carbonate
CID 70893657
CID 66649446
CID 66649446
5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate
CID 59761582
(3,4-diethoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565605
1'-(1-methyl-3-phenylindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 25001895
CID 66782610
CID 66782610
CID 66782079
CID 66782079

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone?
The IUPAC name of (1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone (CID 150433553) is (1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for (1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for (1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone is CCOc1cc(C(=O)N2CCC3(CCc4cc(-c5nn[nH]n5)ccc4O3)CC2)cc2c1c(C)cn2C1CC1.
What is the InChIKey of (1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone?
The InChIKey is HKGYUWFDBUZZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3/c1-3-37-25-16-21(15-23-26(25)18(2)17-35(23)22-5-6-22)28(36)34-12-10-29(11-13-34)9-8-19-14-20(4-7-24(19)38-29)27-30-32-33-31-27/h4,7,14-17,22H,3,5-6,8-13H2,1-2H3,(H,30,31,32,33).
What are the key properties of (1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone?
(1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone has a molecular weight of 512.61 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 150433553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).