N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine

C26H17N7OS — CID 137387366

IUPACN-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine
SMILESc1csc(-c2cc3ccc(-c4nc(Nc5ccc(-c6cn[nH]c6)cc5)c5occc5n4)cc3[nH]2)n1
InChIInChI=1S/C26H17N7OS/c1-2-17(12-21-16(1)11-22(31-21)26-27-8-10-35-26)24-32-20-7-9-34-23(20)25(33-24)30-19-5-3-15(4-6-19)18-13-28-29-14-18/h1-14,31H,(H,28,29)(H,30,32,33)
InChIKeyCGHVWGBHOQRIBB-UHFFFAOYSA-N
MW475.54 g/mol
LogP6.63
Rot. Bonds5

About N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine

N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine (PubChem CID 137387366) has the molecular formula C26H17N7OS and a molecular weight of 475.54 g/mol. Its IUPAC name is N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine
PubChem CID137387366
Molecular FormulaC26H17N7OS
Molecular Weight475.54 g/mol
Exact Mass475.12
IUPAC NameN-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine
SMILESc1csc(-c2cc3ccc(-c4nc(Nc5ccc(-c6cn[nH]c6)cc5)c5occc5n4)cc3[nH]2)n1
InChIInChI=1S/C26H17N7OS/c1-2-17(12-21-16(1)11-22(31-21)26-27-8-10-35-26)24-32-20-7-9-34-23(20)25(33-24)30-19-5-3-15(4-6-19)18-13-28-29-14-18/h1-14,31H,(H,28,29)(H,30,32,33)
InChIKeyCGHVWGBHOQRIBB-UHFFFAOYSA-N
XLogP6.63
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.54
LogP ≤ 56.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine (CID 137387366) is N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine is c1csc(-c2cc3ccc(-c4nc(Nc5ccc(-c6cn[nH]c6)cc5)c5occc5n4)cc3[nH]2)n1.
What is the InChIKey of N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine?
The InChIKey is CGHVWGBHOQRIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N7OS/c1-2-17(12-21-16(1)11-22(31-21)26-27-8-10-35-26)24-32-20-7-9-34-23(20)25(33-24)30-19-5-3-15(4-6-19)18-13-28-29-14-18/h1-14,31H,(H,28,29)(H,30,32,33).
What are the key properties of N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine?
N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine has a molecular weight of 475.54 g/mol, XLogP of 6.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 137387366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).