2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine

C20H15F4N7O — CID 90177927

IUPAC2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine
SMILESNc1nc(-n2c(C3CC3)nc3ncc(F)cc32)nc(Nc2ccc(OC(F)F)cc2)c1F
InChIInChI=1S/C20H15F4N7O/c21-10-7-13-16(26-8-10)29-18(9-1-2-9)31(13)20-28-15(25)14(22)17(30-20)27-11-3-5-12(6-4-11)32-19(23)24/h3-9,19H,1-2H2,(H3,25,27,28,30)
InChIKeyQMRUWLFJRUMHQQ-UHFFFAOYSA-N
MW445.38 g/mol
LogP4.29
Rot. Bonds6

About 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine

2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine (PubChem CID 90177927) has the molecular formula C20H15F4N7O and a molecular weight of 445.38 g/mol. Its IUPAC name is 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine
PubChem CID90177927
Molecular FormulaC20H15F4N7O
Molecular Weight445.38 g/mol
Exact Mass445.13
IUPAC Name2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine
SMILESNc1nc(-n2c(C3CC3)nc3ncc(F)cc32)nc(Nc2ccc(OC(F)F)cc2)c1F
InChIInChI=1S/C20H15F4N7O/c21-10-7-13-16(26-8-10)29-18(9-1-2-9)31(13)20-28-15(25)14(22)17(30-20)27-11-3-5-12(6-4-11)32-19(23)24/h3-9,19H,1-2H2,(H3,25,27,28,30)
InChIKeyQMRUWLFJRUMHQQ-UHFFFAOYSA-N
XLogP4.29
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine?
The IUPAC name of 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine (CID 90177927) is 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine is Nc1nc(-n2c(C3CC3)nc3ncc(F)cc32)nc(Nc2ccc(OC(F)F)cc2)c1F.
What is the InChIKey of 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine?
The InChIKey is QMRUWLFJRUMHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N7O/c21-10-7-13-16(26-8-10)29-18(9-1-2-9)31(13)20-28-15(25)14(22)17(30-20)27-11-3-5-12(6-4-11)32-19(23)24/h3-9,19H,1-2H2,(H3,25,27,28,30).
What are the key properties of 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine?
2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine has a molecular weight of 445.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine is sourced from PubChem (CID 90177927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).