(6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone

C23H24ClN5O2 — CID 154849152

IUPAC(6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESCc1cc(Cl)nc(C(=O)N2CC3(CCN(C(=O)c4nc(C)n5ccccc45)CC3)C2)c1
InChIInChI=1S/C23H24ClN5O2/c1-15-11-17(26-19(24)12-15)21(30)28-13-23(14-28)6-9-27(10-7-23)22(31)20-18-5-3-4-8-29(18)16(2)25-20/h3-5,8,11-12H,6-7,9-10,13-14H2,1-2H3
InChIKeyHWKHJALALSWXSI-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.38
Rot. Bonds2

About (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone

(6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 154849152) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone
PubChem CID154849152
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name(6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone
SMILESCc1cc(Cl)nc(C(=O)N2CC3(CCN(C(=O)c4nc(C)n5ccccc45)CC3)C2)c1
InChIInChI=1S/C23H24ClN5O2/c1-15-11-17(26-19(24)12-15)21(30)28-13-23(14-28)6-9-27(10-7-23)22(31)20-18-5-3-4-8-29(18)16(2)25-20/h3-5,8,11-12H,6-7,9-10,13-14H2,1-2H3
InChIKeyHWKHJALALSWXSI-UHFFFAOYSA-N
XLogP3.38
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone (CID 154849152) is (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone is Cc1cc(Cl)nc(C(=O)N2CC3(CCN(C(=O)c4nc(C)n5ccccc45)CC3)C2)c1.
What is the InChIKey of (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is HWKHJALALSWXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-15-11-17(26-19(24)12-15)21(30)28-13-23(14-28)6-9-27(10-7-23)22(31)20-18-5-3-4-8-29(18)16(2)25-20/h3-5,8,11-12H,6-7,9-10,13-14H2,1-2H3.
What are the key properties of (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone?
(6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 437.93 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-methyl-2-pyridinyl)-[7-(3-methylimidazo[1,5-a]pyridine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 154849152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).