6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid

C18H20N4O4 — CID 66649469

IUPAC6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
SMILESCn1nccc1Nc1ccc2c(c1)C(=O)CC1(CCN(C(=O)O)CC1)O2
InChIInChI=1S/C18H20N4O4/c1-21-16(4-7-19-21)20-12-2-3-15-13(10-12)14(23)11-18(26-15)5-8-22(9-6-18)17(24)25/h2-4,7,10,20H,5-6,8-9,11H2,1H3,(H,24,25)
InChIKeyFIFBEOHBCWRQPR-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.64
Rot. Bonds2

About 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid

6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid (PubChem CID 66649469) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
PubChem CID66649469
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
SMILESCn1nccc1Nc1ccc2c(c1)C(=O)CC1(CCN(C(=O)O)CC1)O2
InChIInChI=1S/C18H20N4O4/c1-21-16(4-7-19-21)20-12-2-3-15-13(10-12)14(23)11-18(26-15)5-8-22(9-6-18)17(24)25/h2-4,7,10,20H,5-6,8-9,11H2,1H3,(H,24,25)
InChIKeyFIFBEOHBCWRQPR-UHFFFAOYSA-N
XLogP2.64
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid with MolForge

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Related Compounds

CID 66782610
CID 66782610
[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
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
CID 68984003
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
6-bromo-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100760356
1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143724675
4-oxo-1'-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-6-carboxylic acid
CID 69076469
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758290
6-chloro-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 23641501
N-(1'-hexyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)methanesulfonamide
CID 19045333

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid (CID 66649469) is 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid is Cn1nccc1Nc1ccc2c(c1)C(=O)CC1(CCN(C(=O)O)CC1)O2.
What is the InChIKey of 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
The InChIKey is FIFBEOHBCWRQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-21-16(4-7-19-21)20-12-2-3-15-13(10-12)14(23)11-18(26-15)5-8-22(9-6-18)17(24)25/h2-4,7,10,20H,5-6,8-9,11H2,1H3,(H,24,25).
What are the key properties of 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 66649469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).