6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

C25H29N7O3S — CID 135240067

IUPAC6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESCc1cc(Nc2ncnc3sc(C(=O)N4CC[C@@H](N(C)C)C4)cc23)c(=O)n2c1C(=O)NC21CCCC1
InChIInChI=1S/C25H29N7O3S/c1-14-10-17(23(34)32-19(14)21(33)29-25(32)7-4-5-8-25)28-20-16-11-18(36-22(16)27-13-26-20)24(35)31-9-6-15(12-31)30(2)3/h10-11,13,15H,4-9,12H2,1-3H3,(H,29,33)(H,26,27,28)/t15-/m1/s1
InChIKeyCDCQKJQVYUUEDH-OAHLLOKOSA-N
MW507.62 g/mol
LogP2.65
Rot. Bonds4

About 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (PubChem CID 135240067) has the molecular formula C25H29N7O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.

Molecular Properties

Compound Name6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
PubChem CID135240067
Molecular FormulaC25H29N7O3S
Molecular Weight507.62 g/mol
Exact Mass507.21
IUPAC Name6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESCc1cc(Nc2ncnc3sc(C(=O)N4CC[C@@H](N(C)C)C4)cc23)c(=O)n2c1C(=O)NC21CCCC1
InChIInChI=1S/C25H29N7O3S/c1-14-10-17(23(34)32-19(14)21(33)29-25(32)7-4-5-8-25)28-20-16-11-18(36-22(16)27-13-26-20)24(35)31-9-6-15(12-31)30(2)3/h10-11,13,15H,4-9,12H2,1-3H3,(H,29,33)(H,26,27,28)/t15-/m1/s1
InChIKeyCDCQKJQVYUUEDH-OAHLLOKOSA-N
XLogP2.65
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione 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

[(6S)-5-azaspiro[2.4]heptan-6-yl]-[7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 134353109
4-[[1-(2-Methoxyethyl)-5-methyl-2-oxo-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118734660
US11311520, Example 81
CID 135259000
US11311520, Example 82
CID 135259217
US11311520, Example 83
CID 135259218
US11311520, Example 87
CID 135259223
US11311520, Example 86
CID 135259225
US11311520, Example 129
CID 142402547
US11311520, Example 88
CID 142402570
US11311520, Example 85
CID 142402595
US11311520, Example 84
CID 146257731
US11311520, Example 28
CID 135259176

Frequently Asked Questions

What is the IUPAC name of 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The IUPAC name of 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (CID 135240067) is 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.
What is the SMILES notation for 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The canonical SMILES for 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is Cc1cc(Nc2ncnc3sc(C(=O)N4CC[C@@H](N(C)C)C4)cc23)c(=O)n2c1C(=O)NC21CCCC1.
What is the InChIKey of 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The InChIKey is CDCQKJQVYUUEDH-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H29N7O3S/c1-14-10-17(23(34)32-19(14)21(33)29-25(32)7-4-5-8-25)28-20-16-11-18(36-22(16)27-13-26-20)24(35)31-9-6-15(12-31)30(2)3/h10-11,13,15H,4-9,12H2,1-3H3,(H,29,33)(H,26,27,28)/t15-/m1/s1.
What are the key properties of 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione has a molecular weight of 507.62 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is sourced from PubChem (CID 135240067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).