5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C24H26ClN5O3 — CID 137416144

IUPAC5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C24H26ClN5O3/c1-30(12-15-11-17(29-28-15)13-5-6-13)22(31)18-10-14-9-16(25)20-19(21(14)33-18)24(27-23(32)26-20)7-3-2-4-8-24/h9-11,13H,2-8,12H2,1H3,(H,28,29)(H2,26,27,32)
InChIKeyPZLLUOCJWMQPKO-UHFFFAOYSA-N
MW467.96 g/mol
LogP5.25
Rot. Bonds4

About 5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 137416144) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is 5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID137416144
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC Name5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C24H26ClN5O3/c1-30(12-15-11-17(29-28-15)13-5-6-13)22(31)18-10-14-9-16(25)20-19(21(14)33-18)24(27-23(32)26-20)7-3-2-4-8-24/h9-11,13H,2-8,12H2,1H3,(H,28,29)(H2,26,27,32)
InChIKeyPZLLUOCJWMQPKO-UHFFFAOYSA-N
XLogP5.25
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 137416144) is 5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3.
What is the InChIKey of 5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is PZLLUOCJWMQPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-30(12-15-11-17(29-28-15)13-5-6-13)22(31)18-10-14-9-16(25)20-19(21(14)33-18)24(27-23(32)26-20)7-3-2-4-8-24/h9-11,13H,2-8,12H2,1H3,(H,28,29)(H2,26,27,32).
What are the key properties of 5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 5.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 137416144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).