N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide

C22H17N5OS — CID 6539976

IUPACN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide
SMILESCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H17N5OS/c1-12-18(19-20(23)24-11-25-22(19)29-12)13-6-8-15(9-7-13)26-21(28)17-10-14-4-2-3-5-16(14)27-17/h2-11,27H,1H3,(H,26,28)(H2,23,24,25)
InChIKeyXOVQPMDPWLGVGL-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.98
Rot. Bonds3

About N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide

N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide (PubChem CID 6539976) has the molecular formula C22H17N5OS and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide
PubChem CID6539976
Molecular FormulaC22H17N5OS
Molecular Weight399.48 g/mol
Exact Mass399.12
IUPAC NameN-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide
SMILESCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H17N5OS/c1-12-18(19-20(23)24-11-25-22(19)29-12)13-6-8-15(9-7-13)26-21(28)17-10-14-4-2-3-5-16(14)27-17/h2-11,27H,1H3,(H,26,28)(H2,23,24,25)
InChIKeyXOVQPMDPWLGVGL-UHFFFAOYSA-N
XLogP4.98
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide (CID 6539976) is N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide is Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is XOVQPMDPWLGVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS/c1-12-18(19-20(23)24-11-25-22(19)29-12)13-6-8-15(9-7-13)26-21(28)17-10-14-4-2-3-5-16(14)27-17/h2-11,27H,1H3,(H,26,28)(H2,23,24,25).
What are the key properties of N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide?
N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 4.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 6539976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).