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

C19H18F3N5O3 — CID 126763835

IUPACN-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3O)cnn2c1
InChIInChI=1S/C19H18F3N5O3/c1-11-6-24-16-13(8-25-27(16)9-11)17(29)26-18(4-5-30-10-15(18)28)14-3-2-12(7-23-14)19(20,21)22/h2-3,6-9,15,28H,4-5,10H2,1H3,(H,26,29)
InChIKeyZMTPAFREDUEPLR-UHFFFAOYSA-N
MW421.38 g/mol
LogP1.86
Rot. Bonds3

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

N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763835) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763835
Molecular FormulaC19H18F3N5O3
Molecular Weight421.38 g/mol
Exact Mass421.14
IUPAC NameN-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3O)cnn2c1
InChIInChI=1S/C19H18F3N5O3/c1-11-6-24-16-13(8-25-27(16)9-11)17(29)26-18(4-5-30-10-15(18)28)14-3-2-12(7-23-14)19(20,21)22/h2-3,6-9,15,28H,4-5,10H2,1H3,(H,26,29)
InChIKeyZMTPAFREDUEPLR-UHFFFAOYSA-N
XLogP1.86
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763835) is N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3O)cnn2c1.
What is the InChIKey of N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZMTPAFREDUEPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3/c1-11-6-24-16-13(8-25-27(16)9-11)17(29)26-18(4-5-30-10-15(18)28)14-3-2-12(7-23-14)19(20,21)22/h2-3,6-9,15,28H,4-5,10H2,1H3,(H,26,29).
What are the key properties of N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).