2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one

C28H32FN7OS — CID 164928383

IUPAC2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one
SMILESCc1c(-c2nc(Nc3ccc(N4CCC5(CC4)CN(C)C5)cn3)ncc2F)sc2c1C(=O)N(C)CC21CC1
InChIInChI=1S/C28H32FN7OS/c1-17-21-24(28(6-7-28)16-35(3)25(21)37)38-23(17)22-19(29)13-31-26(33-22)32-20-5-4-18(12-30-20)36-10-8-27(9-11-36)14-34(2)15-27/h4-5,12-13H,6-11,14-16H2,1-3H3,(H,30,31,32,33)
InChIKeyQBMQGGWSZDDQKX-UHFFFAOYSA-N
MW533.68 g/mol
LogP4.44
Rot. Bonds4

About 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one

2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one (PubChem CID 164928383) has the molecular formula C28H32FN7OS and a molecular weight of 533.68 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one
PubChem CID164928383
Molecular FormulaC28H32FN7OS
Molecular Weight533.68 g/mol
Exact Mass533.24
IUPAC Name2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one
SMILESCc1c(-c2nc(Nc3ccc(N4CCC5(CC4)CN(C)C5)cn3)ncc2F)sc2c1C(=O)N(C)CC21CC1
InChIInChI=1S/C28H32FN7OS/c1-17-21-24(28(6-7-28)16-35(3)25(21)37)38-23(17)22-19(29)13-31-26(33-22)32-20-5-4-18(12-30-20)36-10-8-27(9-11-36)14-34(2)15-27/h4-5,12-13H,6-11,14-16H2,1-3H3,(H,30,31,32,33)
InChIKeyQBMQGGWSZDDQKX-UHFFFAOYSA-N
XLogP4.44
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.68
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one with MolForge

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Related Compounds

US11685744, Example 56
CID 164709790
N-(2-fluorophenyl)-4-[5-[(3-methyl-1-benzothiophene-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 52917420
Fovinaciclib
CID 132136461
N-(2,4-difluorophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4306093
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]thieno[2,3-b]pyridine-2-carboxamide
CID 118710468
3-amino-N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]thieno[2,3-b]pyridine-2-carboxamide
CID 118710469
N-Cyclopropyl-3-(2-(6-(4-ethylpiperazin-1-yl)pyridin-3-ylamino)thieno[3,2-d]pyrimidin-7-yl)benzamide
CID 52931892
(4-Methylpiperazin-1-yl)-[3-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1-benzothiophen-2-yl]methanone
CID 71233603
US11685744, Example 58
CID 164709722
US11685744, Example 62
CID 164709735
US11685744, Example 57
CID 164709757
US11685744, Example 98
CID 164709777

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
The IUPAC name of 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one (CID 164928383) is 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one.
What is the SMILES notation for 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
The canonical SMILES for 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one is Cc1c(-c2nc(Nc3ccc(N4CCC5(CC4)CN(C)C5)cn3)ncc2F)sc2c1C(=O)N(C)CC21CC1.
What is the InChIKey of 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
The InChIKey is QBMQGGWSZDDQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7OS/c1-17-21-24(28(6-7-28)16-35(3)25(21)37)38-23(17)22-19(29)13-31-26(33-22)32-20-5-4-18(12-30-20)36-10-8-27(9-11-36)14-34(2)15-27/h4-5,12-13H,6-11,14-16H2,1-3H3,(H,30,31,32,33).
What are the key properties of 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one?
2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one has a molecular weight of 533.68 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[[5-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one is sourced from PubChem (CID 164928383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).