2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C25H29F2N5O2 — CID 150486404

IUPAC2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCC(F)(F)CC3)ccn2)ccn1
InChIInChI=1S/C25H29F2N5O2/c1-24(2,33)21-13-17(7-11-28-21)30-22-14-19(8-12-29-22)34-20-15-32(18-3-4-18)31-23(20)16-5-9-25(26,27)10-6-16/h7-8,11-16,18,33H,3-6,9-10H2,1-2H3,(H,28,29,30)
InChIKeyHUWQWBRMFZNJPK-UHFFFAOYSA-N
MW469.54 g/mol
LogP6.06
Rot. Bonds7

About 2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 150486404) has the molecular formula C25H29F2N5O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
PubChem CID150486404
Molecular FormulaC25H29F2N5O2
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC Name2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCC(F)(F)CC3)ccn2)ccn1
InChIInChI=1S/C25H29F2N5O2/c1-24(2,33)21-13-17(7-11-28-21)30-22-14-19(8-12-29-22)34-20-15-32(18-3-4-18)31-23(20)16-5-9-25(26,27)10-6-16/h7-8,11-16,18,33H,3-6,9-10H2,1-2H3,(H,28,29,30)
InChIKeyHUWQWBRMFZNJPK-UHFFFAOYSA-N
XLogP6.06
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 150486404) is 2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3C3CCC(F)(F)CC3)ccn2)ccn1.
What is the InChIKey of 2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
The InChIKey is HUWQWBRMFZNJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O2/c1-24(2,33)21-13-17(7-11-28-21)30-22-14-19(8-12-29-22)34-20-15-32(18-3-4-18)31-23(20)16-5-9-25(26,27)10-6-16/h7-8,11-16,18,33H,3-6,9-10H2,1-2H3,(H,28,29,30).
What are the key properties of 2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?
2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 469.54 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 150486404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).