3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

C20H17ClFN5O — CID 11509509

IUPAC3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol
SMILESOCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C20H17ClFN5O/c21-14-4-7-17-18(16-8-10-24-20(25-16)23-9-1-11-28)19(26-27(17)12-14)13-2-5-15(22)6-3-13/h2-8,10,12,28H,1,9,11H2,(H,23,24,25)
InChIKeyIVMJWNKZHWPDDU-UHFFFAOYSA-N
MW397.84 g/mol
LogP4.05
Rot. Bonds6

About 3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol (PubChem CID 11509509) has the molecular formula C20H17ClFN5O and a molecular weight of 397.84 g/mol. Its IUPAC name is 3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol
PubChem CID11509509
Molecular FormulaC20H17ClFN5O
Molecular Weight397.84 g/mol
Exact Mass397.11
IUPAC Name3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol
SMILESOCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C20H17ClFN5O/c21-14-4-7-17-18(16-8-10-24-20(25-16)23-9-1-11-28)19(26-27(17)12-14)13-2-5-15(22)6-3-13/h2-8,10,12,28H,1,9,11H2,(H,23,24,25)
InChIKeyIVMJWNKZHWPDDU-UHFFFAOYSA-N
XLogP4.05
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol (CID 11509509) is 3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol is OCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(Cl)ccc23)n1.
What is the InChIKey of 3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is IVMJWNKZHWPDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN5O/c21-14-4-7-17-18(16-8-10-24-20(25-16)23-9-1-11-28)19(26-27(17)12-14)13-2-5-15(22)6-3-13/h2-8,10,12,28H,1,9,11H2,(H,23,24,25).
What are the key properties of 3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol?
3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 397.84 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 11509509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).