(cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol

C25H26FN5O2 — CID 91466080

IUPAC(cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol
SMILESCC(C)Oc1ccc(-c2cccn3nc(Nc4ccc(C(O)NC5CC5)c(F)c4)nc23)cc1
InChIInChI=1S/C25H26FN5O2/c1-15(2)33-19-10-5-16(6-11-19)20-4-3-13-31-23(20)29-25(30-31)28-18-9-12-21(22(26)14-18)24(32)27-17-7-8-17/h3-6,9-15,17,24,27,32H,7-8H2,1-2H3,(H,28,30)
InChIKeyPKGJDSCFYCZYNR-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.81
Rot. Bonds8

About (cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol

(cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol (PubChem CID 91466080) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is (cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name(cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol
PubChem CID91466080
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name(cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol
SMILESCC(C)Oc1ccc(-c2cccn3nc(Nc4ccc(C(O)NC5CC5)c(F)c4)nc23)cc1
InChIInChI=1S/C25H26FN5O2/c1-15(2)33-19-10-5-16(6-11-19)20-4-3-13-31-23(20)29-25(30-31)28-18-9-12-21(22(26)14-18)24(32)27-17-7-8-17/h3-6,9-15,17,24,27,32H,7-8H2,1-2H3,(H,28,30)
InChIKeyPKGJDSCFYCZYNR-UHFFFAOYSA-N
XLogP4.81
TPSA83.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol?
The IUPAC name of (cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol (CID 91466080) is (cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for (cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol?
The canonical SMILES for (cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol is CC(C)Oc1ccc(-c2cccn3nc(Nc4ccc(C(O)NC5CC5)c(F)c4)nc23)cc1.
What is the InChIKey of (cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol?
The InChIKey is PKGJDSCFYCZYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-15(2)33-19-10-5-16(6-11-19)20-4-3-13-31-23(20)29-25(30-31)28-18-9-12-21(22(26)14-18)24(32)27-17-7-8-17/h3-6,9-15,17,24,27,32H,7-8H2,1-2H3,(H,28,30).
What are the key properties of (cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol?
(cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol has a molecular weight of 447.51 g/mol, XLogP of 4.81, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopropylamino)-[2-fluoro-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 91466080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).