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

C23H27N7O3S — CID 135240051

IUPAC6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1cc(Nc2ncnc3sc(C(=O)N4CC[C@@H](N(C)C)C4)cc23)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C23H27N7O3S/c1-12-8-15(21(32)30-17(12)19(31)27-23(30,2)3)26-18-14-9-16(34-20(14)25-11-24-18)22(33)29-7-6-13(10-29)28(4)5/h8-9,11,13H,6-7,10H2,1-5H3,(H,27,31)(H,24,25,26)/t13-/m1/s1
InChIKeyFIPADWPXHLZBAG-CYBMUJFWSA-N
MW481.58 g/mol
LogP2.12
Rot. Bonds4

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

6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 135240051) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID135240051
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC Name6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCc1cc(Nc2ncnc3sc(C(=O)N4CC[C@@H](N(C)C)C4)cc23)c(=O)n2c1C(=O)NC2(C)C
InChIInChI=1S/C23H27N7O3S/c1-12-8-15(21(32)30-17(12)19(31)27-23(30,2)3)26-18-14-9-16(34-20(14)25-11-24-18)22(33)29-7-6-13(10-29)28(4)5/h8-9,11,13H,6-7,10H2,1-5H3,(H,27,31)(H,24,25,26)/t13-/m1/s1
InChIKeyFIPADWPXHLZBAG-CYBMUJFWSA-N
XLogP2.12
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.12
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]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione with MolForge

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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]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 135240051) is 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-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]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is Cc1cc(Nc2ncnc3sc(C(=O)N4CC[C@@H](N(C)C)C4)cc23)c(=O)n2c1C(=O)NC2(C)C.
What is the InChIKey of 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is FIPADWPXHLZBAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H27N7O3S/c1-12-8-15(21(32)30-17(12)19(31)27-23(30,2)3)26-18-14-9-16(34-20(14)25-11-24-18)22(33)29-7-6-13(10-29)28(4)5/h8-9,11,13H,6-7,10H2,1-5H3,(H,27,31)(H,24,25,26)/t13-/m1/s1.
What are the key properties of 6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-[[6-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 481.58 g/mol, XLogP of 2.12, 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]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 135240051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).