N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine

C19H15ClFN7 — CID 67383622

IUPACN-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2c(Nc3cc(N4CCC4)ncn3)nccc2[nH]1
InChIInChI=1S/C19H15ClFN7/c20-11-3-1-4-12(21)16(11)18-25-13-5-6-22-19(17(13)27-18)26-14-9-15(24-10-23-14)28-7-2-8-28/h1,3-6,9-10H,2,7-8H2,(H,25,27)(H,22,23,24,26)
InChIKeyJMKJMCPBCSTITB-UHFFFAOYSA-N
MW395.83 g/mol
LogP4.16
Rot. Bonds4

About N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine

N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 67383622) has the molecular formula C19H15ClFN7 and a molecular weight of 395.83 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID67383622
Molecular FormulaC19H15ClFN7
Molecular Weight395.83 g/mol
Exact Mass395.11
IUPAC NameN-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2c(Nc3cc(N4CCC4)ncn3)nccc2[nH]1
InChIInChI=1S/C19H15ClFN7/c20-11-3-1-4-12(21)16(11)18-25-13-5-6-22-19(17(13)27-18)26-14-9-15(24-10-23-14)28-7-2-8-28/h1,3-6,9-10H,2,7-8H2,(H,25,27)(H,22,23,24,26)
InChIKeyJMKJMCPBCSTITB-UHFFFAOYSA-N
XLogP4.16
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine (CID 67383622) is N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine is Fc1cccc(Cl)c1-c1nc2c(Nc3cc(N4CCC4)ncn3)nccc2[nH]1.
What is the InChIKey of N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is JMKJMCPBCSTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN7/c20-11-3-1-4-12(21)16(11)18-25-13-5-6-22-19(17(13)27-18)26-14-9-15(24-10-23-14)28-7-2-8-28/h1,3-6,9-10H,2,7-8H2,(H,25,27)(H,22,23,24,26).
What are the key properties of N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 395.83 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 67383622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).