N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H17F4N5O3 — CID 126763810

IUPACN-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ncc(C(F)(F)F)cc4F)CCOCC3O)cnn2c1
InChIInChI=1S/C19H17F4N5O3/c1-10-5-25-16-12(7-26-28(16)8-10)17(30)27-18(2-3-31-9-14(18)29)15-13(20)4-11(6-24-15)19(21,22)23/h4-8,14,29H,2-3,9H2,1H3,(H,27,30)
InChIKeyMRQIRCROQXTQLU-UHFFFAOYSA-N
MW439.37 g/mol
LogP2.00
Rot. Bonds3

About N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763810) has the molecular formula C19H17F4N5O3 and a molecular weight of 439.37 g/mol. Its IUPAC name is N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763810
Molecular FormulaC19H17F4N5O3
Molecular Weight439.37 g/mol
Exact Mass439.13
IUPAC NameN-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ncc(C(F)(F)F)cc4F)CCOCC3O)cnn2c1
InChIInChI=1S/C19H17F4N5O3/c1-10-5-25-16-12(7-26-28(16)8-10)17(30)27-18(2-3-31-9-14(18)29)15-13(20)4-11(6-24-15)19(21,22)23/h4-8,14,29H,2-3,9H2,1H3,(H,27,30)
InChIKeyMRQIRCROQXTQLU-UHFFFAOYSA-N
XLogP2.00
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763810) is N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3(c4ncc(C(F)(F)F)cc4F)CCOCC3O)cnn2c1.
What is the InChIKey of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MRQIRCROQXTQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O3/c1-10-5-25-16-12(7-26-28(16)8-10)17(30)27-18(2-3-31-9-14(18)29)15-13(20)4-11(6-24-15)19(21,22)23/h4-8,14,29H,2-3,9H2,1H3,(H,27,30).
What are the key properties of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).