N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H20F3N7O — CID 70929678

IUPACN-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1cc(-c2cccn3nc(Nc4cnn(C(F)F)c4)nc23)ccc1CN1CCOCC1
InChIInChI=1S/C21H20F3N7O/c22-18-10-14(3-4-15(18)12-29-6-8-32-9-7-29)17-2-1-5-30-19(17)27-21(28-30)26-16-11-25-31(13-16)20(23)24/h1-5,10-11,13,20H,6-9,12H2,(H,26,28)
InChIKeyHNXPMIIUHCRPND-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.70
Rot. Bonds6

About N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70929678) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70929678
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC NameN-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1cc(-c2cccn3nc(Nc4cnn(C(F)F)c4)nc23)ccc1CN1CCOCC1
InChIInChI=1S/C21H20F3N7O/c22-18-10-14(3-4-15(18)12-29-6-8-32-9-7-29)17-2-1-5-30-19(17)27-21(28-30)26-16-11-25-31(13-16)20(23)24/h1-5,10-11,13,20H,6-9,12H2,(H,26,28)
InChIKeyHNXPMIIUHCRPND-UHFFFAOYSA-N
XLogP3.70
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70929678) is N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Fc1cc(-c2cccn3nc(Nc4cnn(C(F)F)c4)nc23)ccc1CN1CCOCC1.
What is the InChIKey of N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HNXPMIIUHCRPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O/c22-18-10-14(3-4-15(18)12-29-6-8-32-9-7-29)17-2-1-5-30-19(17)27-21(28-30)26-16-11-25-31(13-16)20(23)24/h1-5,10-11,13,20H,6-9,12H2,(H,26,28).
What are the key properties of N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 443.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)pyrazol-4-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70929678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).