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

C20H17N7S — CID 46843255

IUPACN-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
InChIInChI=1S/C20H17N7S/c1-2-16-18(21-9-1)27-20(26-16)25-14-5-3-13(4-6-14)7-10-22-19-17-15(8-11-28-17)23-12-24-19/h1-6,8-9,11-12H,7,10H2,(H,22,23,24)(H2,21,25,26,27)
InChIKeyVICXAGACZIEFMG-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.36
Rot. Bonds6

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

N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 46843255) has the molecular formula C20H17N7S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID46843255
Molecular FormulaC20H17N7S
Molecular Weight387.47 g/mol
Exact Mass387.13
IUPAC NameN-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1
InChIInChI=1S/C20H17N7S/c1-2-16-18(21-9-1)27-20(26-16)25-14-5-3-13(4-6-14)7-10-22-19-17-15(8-11-28-17)23-12-24-19/h1-6,8-9,11-12H,7,10H2,(H,22,23,24)(H2,21,25,26,27)
InChIKeyVICXAGACZIEFMG-UHFFFAOYSA-N
XLogP4.36
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 46843255) is N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine is c1cnc2nc(Nc3ccc(CCNc4ncnc5ccsc45)cc3)[nH]c2c1.
What is the InChIKey of N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is VICXAGACZIEFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7S/c1-2-16-18(21-9-1)27-20(26-16)25-14-5-3-13(4-6-14)7-10-22-19-17-15(8-11-28-17)23-12-24-19/h1-6,8-9,11-12H,7,10H2,(H,22,23,24)(H2,21,25,26,27).
What are the key properties of N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 387.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-imidazo[4,5-b]pyridin-2-ylamino)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 46843255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).