N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine

C24H26F2N6O2 — CID 151113105

IUPACN-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine
SMILESFC1(F)CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)C1
InChIInChI=1S/C24H26F2N6O2/c25-24(26)14-31(15-24)22-11-17(3-7-28-22)29-21-12-19(4-8-27-21)34-20-13-32(18-1-2-18)30-23(20)16-5-9-33-10-6-16/h3-4,7-8,11-13,16,18H,1-2,5-6,9-10,14-15H2,(H,27,28,29)
InChIKeyMQONALBXKCWFCX-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.89
Rot. Bonds7

About N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine

N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine (PubChem CID 151113105) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine
PubChem CID151113105
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC NameN-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine
SMILESFC1(F)CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)C1
InChIInChI=1S/C24H26F2N6O2/c25-24(26)14-31(15-24)22-11-17(3-7-28-22)29-21-12-19(4-8-27-21)34-20-13-32(18-1-2-18)30-23(20)16-5-9-33-10-6-16/h3-4,7-8,11-13,16,18H,1-2,5-6,9-10,14-15H2,(H,27,28,29)
InChIKeyMQONALBXKCWFCX-UHFFFAOYSA-N
XLogP4.89
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine?
The IUPAC name of N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine (CID 151113105) is N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine.
What is the SMILES notation for N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine?
The canonical SMILES for N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine is FC1(F)CN(c2cc(Nc3cc(Oc4cn(C5CC5)nc4C4CCOCC4)ccn3)ccn2)C1.
What is the InChIKey of N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine?
The InChIKey is MQONALBXKCWFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c25-24(26)14-31(15-24)22-11-17(3-7-28-22)29-21-12-19(4-8-27-21)34-20-13-32(18-1-2-18)30-23(20)16-5-9-33-10-6-16/h3-4,7-8,11-13,16,18H,1-2,5-6,9-10,14-15H2,(H,27,28,29).
What are the key properties of N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine?
N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine has a molecular weight of 468.51 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-(3,3-difluoroazetidin-1-yl)pyridin-4-amine is sourced from PubChem (CID 151113105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).