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

C15H17N7OS — CID 123234745

IUPACN,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCc1cc2c(Nc3n[nH]c4c3CN(C(=O)N(C)C)C4)ncnc2s1
InChIInChI=1S/C15H17N7OS/c1-8-4-9-12(16-7-17-14(9)24-8)18-13-10-5-22(15(23)21(2)3)6-11(10)19-20-13/h4,7H,5-6H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyBQTOCNRFGZTLSP-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.46
Rot. Bonds2

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

N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 123234745) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID123234745
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC NameN,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCc1cc2c(Nc3n[nH]c4c3CN(C(=O)N(C)C)C4)ncnc2s1
InChIInChI=1S/C15H17N7OS/c1-8-4-9-12(16-7-17-14(9)24-8)18-13-10-5-22(15(23)21(2)3)6-11(10)19-20-13/h4,7H,5-6H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyBQTOCNRFGZTLSP-UHFFFAOYSA-N
XLogP2.46
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 123234745) is N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is Cc1cc2c(Nc3n[nH]c4c3CN(C(=O)N(C)C)C4)ncnc2s1.
What is the InChIKey of N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is BQTOCNRFGZTLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-8-4-9-12(16-7-17-14(9)24-8)18-13-10-5-22(15(23)21(2)3)6-11(10)19-20-13/h4,7H,5-6H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 123234745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).