4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide

C20H14BrN7OS — CID 72943630

IUPAC4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESNc1ncnc2c(C(=O)Nc3cccc4c3c(Br)nn4Cc3cccnc3)csc12
InChIInChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)
InChIKeyRNSPJNIKRAJKOU-UHFFFAOYSA-N
MW480.35 g/mol
LogP4.08
Rot. Bonds4

About 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide

4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 72943630) has the molecular formula C20H14BrN7OS and a molecular weight of 480.35 g/mol. Its IUPAC name is 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID72943630
Molecular FormulaC20H14BrN7OS
Molecular Weight480.35 g/mol
Exact Mass479.02
IUPAC Name4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESNc1ncnc2c(C(=O)Nc3cccc4c3c(Br)nn4Cc3cccnc3)csc12
InChIInChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)
InChIKeyRNSPJNIKRAJKOU-UHFFFAOYSA-N
XLogP4.08
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.35
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 72943630) is 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide is Nc1ncnc2c(C(=O)Nc3cccc4c3c(Br)nn4Cc3cccnc3)csc12.
What is the InChIKey of 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is RNSPJNIKRAJKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25).
What are the key properties of 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 480.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-bromo-1-(pyridin-3-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 72943630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).