2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one

C22H27N7OS — CID 131672370

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1nc(CN2CCC3(CN(c4ncccn4)CC3c3cn(C(C)C)cn3)C2=O)cs1
InChIInChI=1S/C22H27N7OS/c1-15(2)29-11-19(25-14-29)18-10-28(21-23-6-4-7-24-21)13-22(18)5-8-27(20(22)30)9-17-12-31-16(3)26-17/h4,6-7,11-12,14-15,18H,5,8-10,13H2,1-3H3
InChIKeyKZZVLXFZUHOPNF-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.04
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131672370) has the molecular formula C22H27N7OS and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131672370
Molecular FormulaC22H27N7OS
Molecular Weight437.57 g/mol
Exact Mass437.20
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1nc(CN2CCC3(CN(c4ncccn4)CC3c3cn(C(C)C)cn3)C2=O)cs1
InChIInChI=1S/C22H27N7OS/c1-15(2)29-11-19(25-14-29)18-10-28(21-23-6-4-7-24-21)13-22(18)5-8-27(20(22)30)9-17-12-31-16(3)26-17/h4,6-7,11-12,14-15,18H,5,8-10,13H2,1-3H3
InChIKeyKZZVLXFZUHOPNF-UHFFFAOYSA-N
XLogP3.04
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-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

Related Compounds

7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669855
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-[(E)-3-thiophen-2-ylprop-2-enoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131681654
7-(furan-3-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155836626
9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-4-ylmethyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669867
9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672381
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118743886
2-(2-methoxyethyl)-7-methyl-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669847
7-[(1-methylpyrazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669859
7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672355
7-[(2-fluorophenyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669861
2-(2-methoxyethyl)-7-[(6-methyl-2-pyridinyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;tris(2,2,2-trifluoroacetic acid)
CID 155860990
2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131672353

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 131672370) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one is Cc1nc(CN2CCC3(CN(c4ncccn4)CC3c3cn(C(C)C)cn3)C2=O)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is KZZVLXFZUHOPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS/c1-15(2)29-11-19(25-14-29)18-10-28(21-23-6-4-7-24-21)13-22(18)5-8-27(20(22)30)9-17-12-31-16(3)26-17/h4,6-7,11-12,14-15,18H,5,8-10,13H2,1-3H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 437.57 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131672370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).