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

C24H25N7OS — CID 59474224

IUPAC6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCc1cc2c(Nc3n[nH]c4c3CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C4(C)C)ncnc2s1
InChIInChI=1S/C24H25N7OS/c1-13-9-16-20(25-12-26-22(16)33-13)28-21-17-11-31(24(2,3)19(17)29-30-21)23(32)27-18-10-15(18)14-7-5-4-6-8-14/h4-9,12,15,18H,10-11H2,1-3H3,(H,27,32)(H2,25,26,28,29,30)/t15-,18+/m0/s1
InChIKeyOHMRYINLXYRLCO-MAUKXSAKSA-N
MW459.58 g/mol
LogP4.78
Rot. Bonds4

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

6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 59474224) has the molecular formula C24H25N7OS and a molecular weight of 459.58 g/mol. Its IUPAC name is 6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID59474224
Molecular FormulaC24H25N7OS
Molecular Weight459.58 g/mol
Exact Mass459.18
IUPAC Name6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCc1cc2c(Nc3n[nH]c4c3CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C4(C)C)ncnc2s1
InChIInChI=1S/C24H25N7OS/c1-13-9-16-20(25-12-26-22(16)33-13)28-21-17-11-31(24(2,3)19(17)29-30-21)23(32)27-18-10-15(18)14-7-5-4-6-8-14/h4-9,12,15,18H,10-11H2,1-3H3,(H,27,32)(H2,25,26,28,29,30)/t15-,18+/m0/s1
InChIKeyOHMRYINLXYRLCO-MAUKXSAKSA-N
XLogP4.78
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 59474224) is 6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is Cc1cc2c(Nc3n[nH]c4c3CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C4(C)C)ncnc2s1.
What is the InChIKey of 6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is OHMRYINLXYRLCO-MAUKXSAKSA-N. The full InChI is InChI=1S/C24H25N7OS/c1-13-9-16-20(25-12-26-22(16)33-13)28-21-17-11-31(24(2,3)19(17)29-30-21)23(32)27-18-10-15(18)14-7-5-4-6-8-14/h4-9,12,15,18H,10-11H2,1-3H3,(H,27,32)(H2,25,26,28,29,30)/t15-,18+/m0/s1.
What are the key properties of 6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 459.58 g/mol, XLogP of 4.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(1R,2S)-2-phenylcyclopropyl]-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 59474224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).