5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one

C26H27ClN6O2 — CID 121270230

IUPAC5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one
SMILESCCn1cc(C(=O)N2CC3(C2)CN(c2cncc(N4C(=O)c5ccc(Cl)cc5C4(C)C)c2)C3)cn1
InChIInChI=1S/C26H27ClN6O2/c1-4-32-12-17(9-29-32)23(34)31-15-26(16-31)13-30(14-26)19-8-20(11-28-10-19)33-24(35)21-6-5-18(27)7-22(21)25(33,2)3/h5-12H,4,13-16H2,1-3H3
InChIKeyKDGCUTVRQCCZKO-UHFFFAOYSA-N
MW491.00 g/mol
LogP3.81
Rot. Bonds4

About 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one

5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one (PubChem CID 121270230) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one.

Molecular Properties

Compound Name5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one
PubChem CID121270230
Molecular FormulaC26H27ClN6O2
Molecular Weight491.00 g/mol
Exact Mass490.19
IUPAC Name5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one
SMILESCCn1cc(C(=O)N2CC3(C2)CN(c2cncc(N4C(=O)c5ccc(Cl)cc5C4(C)C)c2)C3)cn1
InChIInChI=1S/C26H27ClN6O2/c1-4-32-12-17(9-29-32)23(34)31-15-26(16-31)13-30(14-26)19-8-20(11-28-10-19)33-24(35)21-6-5-18(27)7-22(21)25(33,2)3/h5-12H,4,13-16H2,1-3H3
InChIKeyKDGCUTVRQCCZKO-UHFFFAOYSA-N
XLogP3.81
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.00
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one 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 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one?
The IUPAC name of 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one (CID 121270230) is 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one.
What is the SMILES notation for 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one?
The canonical SMILES for 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one is CCn1cc(C(=O)N2CC3(C2)CN(c2cncc(N4C(=O)c5ccc(Cl)cc5C4(C)C)c2)C3)cn1.
What is the InChIKey of 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one?
The InChIKey is KDGCUTVRQCCZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-4-32-12-17(9-29-32)23(34)31-15-26(16-31)13-30(14-26)19-8-20(11-28-10-19)33-24(35)21-6-5-18(27)7-22(21)25(33,2)3/h5-12H,4,13-16H2,1-3H3.
What are the key properties of 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one?
5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one has a molecular weight of 491.00 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-[2-(1-ethylpyrazole-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]-3,3-dimethylisoindol-1-one is sourced from PubChem (CID 121270230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).