5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

C26H30FN9O2 — CID 117077303

IUPAC5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESFc1cnc(Nc2ccc(-n3cnc(N4CCOCC4)n3)cc2)cc1-c1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C26H30FN9O2/c27-23-18-28-25(17-22(23)24-5-6-35(31-24)8-7-33-9-13-37-14-10-33)30-20-1-3-21(4-2-20)36-19-29-26(32-36)34-11-15-38-16-12-34/h1-6,17-19H,7-16H2,(H,28,30)
InChIKeyUUEZSIGNEPFCQX-UHFFFAOYSA-N
MW519.59 g/mol
LogP2.58
Rot. Bonds8

About 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (PubChem CID 117077303) has the molecular formula C26H30FN9O2 and a molecular weight of 519.59 g/mol. Its IUPAC name is 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
PubChem CID117077303
Molecular FormulaC26H30FN9O2
Molecular Weight519.59 g/mol
Exact Mass519.25
IUPAC Name5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESFc1cnc(Nc2ccc(-n3cnc(N4CCOCC4)n3)cc2)cc1-c1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C26H30FN9O2/c27-23-18-28-25(17-22(23)24-5-6-35(31-24)8-7-33-9-13-37-14-10-33)30-20-1-3-21(4-2-20)36-19-29-26(32-36)34-11-15-38-16-12-34/h1-6,17-19H,7-16H2,(H,28,30)
InChIKeyUUEZSIGNEPFCQX-UHFFFAOYSA-N
XLogP2.58
TPSA98.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.59
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (CID 117077303) is 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is Fc1cnc(Nc2ccc(-n3cnc(N4CCOCC4)n3)cc2)cc1-c1ccn(CCN2CCOCC2)n1.
What is the InChIKey of 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The InChIKey is UUEZSIGNEPFCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN9O2/c27-23-18-28-25(17-22(23)24-5-6-35(31-24)8-7-33-9-13-37-14-10-33)30-20-1-3-21(4-2-20)36-19-29-26(32-36)34-11-15-38-16-12-34/h1-6,17-19H,7-16H2,(H,28,30).
What are the key properties of 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine has a molecular weight of 519.59 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 117077303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).