4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide

C23H21N7OS — CID 72943755

IUPAC4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
InChIInChI=1S/C23H21N7OS/c1-3-16-19-17(28-23(31)15-11-32-21-20(15)25-12-26-22(21)24)8-5-9-18(19)30(29-16)10-14-7-4-6-13(2)27-14/h4-9,11-12H,3,10H2,1-2H3,(H,28,31)(H2,24,25,26)
InChIKeyRLIPSBGNNBBRDR-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.19
Rot. Bonds5

About 4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide

4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 72943755) has the molecular formula C23H21N7OS and a molecular weight of 443.54 g/mol. Its IUPAC name is 4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID72943755
Molecular FormulaC23H21N7OS
Molecular Weight443.54 g/mol
Exact Mass443.15
IUPAC Name4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
InChIInChI=1S/C23H21N7OS/c1-3-16-19-17(28-23(31)15-11-32-21-20(15)25-12-26-22(21)24)8-5-9-18(19)30(29-16)10-14-7-4-6-13(2)27-14/h4-9,11-12H,3,10H2,1-2H3,(H,28,31)(H2,24,25,26)
InChIKeyRLIPSBGNNBBRDR-UHFFFAOYSA-N
XLogP4.19
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 72943755) is 4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12.
What is the InChIKey of 4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is RLIPSBGNNBBRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7OS/c1-3-16-19-17(28-23(31)15-11-32-21-20(15)25-12-26-22(21)24)8-5-9-18(19)30(29-16)10-14-7-4-6-13(2)27-14/h4-9,11-12H,3,10H2,1-2H3,(H,28,31)(H2,24,25,26).
What are the key properties of 4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 72943755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).