2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide

C24H27N3O4 — CID 172664053

IUPAC2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CC3(CCOCC3)Oc3ccc(-c4ccnn4C)cc32)c(C)o1
InChIInChI=1S/C24H27N3O4/c1-15-12-18(16(2)30-15)23(28)26-20-14-24(7-10-29-11-8-24)31-22-5-4-17(13-19(20)22)21-6-9-25-27(21)3/h4-6,9,12-13,20H,7-8,10-11,14H2,1-3H3,(H,26,28)
InChIKeyBMPRUBDXMQCCKQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.10
Rot. Bonds3

About 2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide

2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide (PubChem CID 172664053) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide
PubChem CID172664053
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CC3(CCOCC3)Oc3ccc(-c4ccnn4C)cc32)c(C)o1
InChIInChI=1S/C24H27N3O4/c1-15-12-18(16(2)30-15)23(28)26-20-14-24(7-10-29-11-8-24)31-22-5-4-17(13-19(20)22)21-6-9-25-27(21)3/h4-6,9,12-13,20H,7-8,10-11,14H2,1-3H3,(H,26,28)
InChIKeyBMPRUBDXMQCCKQ-UHFFFAOYSA-N
XLogP4.10
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide (CID 172664053) is 2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide is Cc1cc(C(=O)NC2CC3(CCOCC3)Oc3ccc(-c4ccnn4C)cc32)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide?
The InChIKey is BMPRUBDXMQCCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15-12-18(16(2)30-15)23(28)26-20-14-24(7-10-29-11-8-24)31-22-5-4-17(13-19(20)22)21-6-9-25-27(21)3/h4-6,9,12-13,20H,7-8,10-11,14H2,1-3H3,(H,26,28).
What are the key properties of 2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide?
2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[6-(2-methylpyrazol-3-yl)spiro[3,4-dihydrochromene-2,4'-oxane]-4-yl]furan-3-carboxamide is sourced from PubChem (CID 172664053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).