6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide

C25H26N6OS — CID 59474193

IUPAC6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide
SMILESCc1nc(Nc2n[nH]c3c2CC(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2sccc2n1
InChIInChI=1S/C25H26N6OS/c1-13-26-18-9-10-33-20(18)23(27-13)29-22-16-11-17(25(2,3)21(16)30-31-22)24(32)28-19-12-15(19)14-7-5-4-6-8-14/h4-10,15,17,19H,11-12H2,1-3H3,(H,28,32)(H2,26,27,29,30,31)/t15-,17?,19+/m1/s1
InChIKeyCCXXPSWOSQIHSV-LZUBQGRKSA-N
MW458.59 g/mol
LogP4.59
Rot. Bonds5

About 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide

6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide (PubChem CID 59474193) has the molecular formula C25H26N6OS and a molecular weight of 458.59 g/mol. Its IUPAC name is 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide
PubChem CID59474193
Molecular FormulaC25H26N6OS
Molecular Weight458.59 g/mol
Exact Mass458.19
IUPAC Name6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide
SMILESCc1nc(Nc2n[nH]c3c2CC(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2sccc2n1
InChIInChI=1S/C25H26N6OS/c1-13-26-18-9-10-33-20(18)23(27-13)29-22-16-11-17(25(2,3)21(16)30-31-22)24(32)28-19-12-15(19)14-7-5-4-6-8-14/h4-10,15,17,19H,11-12H2,1-3H3,(H,28,32)(H2,26,27,29,30,31)/t15-,17?,19+/m1/s1
InChIKeyCCXXPSWOSQIHSV-LZUBQGRKSA-N
XLogP4.59
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide?
The IUPAC name of 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide (CID 59474193) is 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide.
What is the SMILES notation for 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide?
The canonical SMILES for 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide is Cc1nc(Nc2n[nH]c3c2CC(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c2sccc2n1.
What is the InChIKey of 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide?
The InChIKey is CCXXPSWOSQIHSV-LZUBQGRKSA-N. The full InChI is InChI=1S/C25H26N6OS/c1-13-26-18-9-10-33-20(18)23(27-13)29-22-16-11-17(25(2,3)21(16)30-31-22)24(32)28-19-12-15(19)14-7-5-4-6-8-14/h4-10,15,17,19H,11-12H2,1-3H3,(H,28,32)(H2,26,27,29,30,31)/t15-,17?,19+/m1/s1.
What are the key properties of 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide?
6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-N-[(1S,2R)-2-phenylcyclopropyl]-4,5-dihydro-1H-cyclopenta[d]pyrazole-5-carboxamide is sourced from PubChem (CID 59474193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).