N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine

C20H16ClN7S — CID 46883181

IUPACN-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESClc1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
InChIInChI=1S/C20H16ClN7S/c21-13-9-16-18(23-10-13)28-20(27-16)26-14-3-1-12(2-4-14)5-7-22-19-17-15(6-8-29-17)24-11-25-19/h1-4,6,8-11H,5,7H2,(H,22,24,25)(H2,23,26,27,28)
InChIKeyGWMLTDIKRRDXOE-UHFFFAOYSA-N
MW421.92 g/mol
LogP5.01
Rot. Bonds6

About N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine

N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 46883181) has the molecular formula C20H16ClN7S and a molecular weight of 421.92 g/mol. Its IUPAC name is N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID46883181
Molecular FormulaC20H16ClN7S
Molecular Weight421.92 g/mol
Exact Mass421.09
IUPAC NameN-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESClc1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
InChIInChI=1S/C20H16ClN7S/c21-13-9-16-18(23-10-13)28-20(27-16)26-14-3-1-12(2-4-14)5-7-22-19-17-15(6-8-29-17)24-11-25-19/h1-4,6,8-11H,5,7H2,(H,22,24,25)(H2,23,26,27,28)
InChIKeyGWMLTDIKRRDXOE-UHFFFAOYSA-N
XLogP5.01
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.92
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 46883181) is N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine is Clc1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1.
What is the InChIKey of N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GWMLTDIKRRDXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7S/c21-13-9-16-18(23-10-13)28-20(27-16)26-14-3-1-12(2-4-14)5-7-22-19-17-15(6-8-29-17)24-11-25-19/h1-4,6,8-11H,5,7H2,(H,22,24,25)(H2,23,26,27,28).
What are the key properties of N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 421.92 g/mol, XLogP of 5.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)amino]phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 46883181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).