1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

C25H23N5O3 — CID 46884754

IUPAC1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cn[nH]c4)ccc2O3)cc2cn[nH]c12
InChIInChI=1S/C25H23N5O3/c1-15-8-17(9-18-12-28-29-23(15)18)24(32)30-6-4-25(5-7-30)11-21(31)20-10-16(2-3-22(20)33-25)19-13-26-27-14-19/h2-3,8-10,12-14H,4-7,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyUUPNUZRKNKZIHU-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.90
Rot. Bonds2

About 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46884754) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46884754
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cn[nH]c4)ccc2O3)cc2cn[nH]c12
InChIInChI=1S/C25H23N5O3/c1-15-8-17(9-18-12-28-29-23(15)18)24(32)30-6-4-25(5-7-30)11-21(31)20-10-16(2-3-22(20)33-25)19-13-26-27-14-19/h2-3,8-10,12-14H,4-7,11H2,1H3,(H,26,27)(H,28,29)
InChIKeyUUPNUZRKNKZIHU-UHFFFAOYSA-N
XLogP3.90
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 69074460
1'-(7-methyl-1H-indazole-5-carbonyl)-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-carboxylic acid
CID 59144576
6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 59144580
methyl 1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxylate
CID 69072950
1'-(1H-indazole-7-carbonyl)-5-methoxy-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 69076910
1'-(7-chloro-1H-indazole-5-carbonyl)-6,7-dimethylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 59144600
6-ethyl-1'-(7-ethyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 59144669
4-[4-[6-(4-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621153
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
CID 66782062
CID 66782062
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
CID 66649463
CID 66649463

Frequently Asked Questions

What is the IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 46884754) is 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cn[nH]c4)ccc2O3)cc2cn[nH]c12.
What is the InChIKey of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is UUPNUZRKNKZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-15-8-17(9-18-12-28-29-23(15)18)24(32)30-6-4-25(5-7-30)11-21(31)20-10-16(2-3-22(20)33-25)19-13-26-27-14-19/h2-3,8-10,12-14H,4-7,11H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 441.49 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1H-pyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46884754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).