(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone

C24H26N4O3 — CID 54670933

IUPAC(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)cn1
InChIInChI=1S/C24H26N4O3/c1-16(2)30-21-9-8-17(14-25-21)23(29)28-12-10-24(11-13-28)19-15-27(3)26-22(19)18-6-4-5-7-20(18)31-24/h4-9,14-16H,10-13H2,1-3H3
InChIKeyPAJVVMSTXGHWAD-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.79
Rot. Bonds3

About (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone

(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 54670933) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID54670933
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)cn1
InChIInChI=1S/C24H26N4O3/c1-16(2)30-21-9-8-17(14-25-21)23(29)28-12-10-24(11-13-28)19-15-27(3)26-22(19)18-6-4-5-7-20(18)31-24/h4-9,14-16H,10-13H2,1-3H3
InChIKeyPAJVVMSTXGHWAD-UHFFFAOYSA-N
XLogP3.79
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone (CID 54670933) is (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)cn1.
What is the InChIKey of (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is PAJVVMSTXGHWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16(2)30-21-9-8-17(14-25-21)23(29)28-12-10-24(11-13-28)19-15-27(3)26-22(19)18-6-4-5-7-20(18)31-24/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone?
(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 418.50 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 54670933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).