6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine

C20H17F5N8 — CID 134440605

IUPAC6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine
SMILESCc1cc(C(F)F)n(-c2cc(Nc3c(C)c(-c4ccc(C(F)(F)F)nc4)nn3C)ncn2)n1
InChIInChI=1S/C20H17F5N8/c1-10-6-13(18(21)22)33(30-10)16-7-15(27-9-28-16)29-19-11(2)17(31-32(19)3)12-4-5-14(26-8-12)20(23,24)25/h4-9,18H,1-3H3,(H,27,28,29)
InChIKeyVNGSCRACHWOLSA-UHFFFAOYSA-N
MW464.40 g/mol
LogP4.77
Rot. Bonds5

About 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine

6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine (PubChem CID 134440605) has the molecular formula C20H17F5N8 and a molecular weight of 464.40 g/mol. Its IUPAC name is 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine
PubChem CID134440605
Molecular FormulaC20H17F5N8
Molecular Weight464.40 g/mol
Exact Mass464.15
IUPAC Name6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine
SMILESCc1cc(C(F)F)n(-c2cc(Nc3c(C)c(-c4ccc(C(F)(F)F)nc4)nn3C)ncn2)n1
InChIInChI=1S/C20H17F5N8/c1-10-6-13(18(21)22)33(30-10)16-7-15(27-9-28-16)29-19-11(2)17(31-32(19)3)12-4-5-14(26-8-12)20(23,24)25/h4-9,18H,1-3H3,(H,27,28,29)
InChIKeyVNGSCRACHWOLSA-UHFFFAOYSA-N
XLogP4.77
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine?
The IUPAC name of 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine (CID 134440605) is 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine is Cc1cc(C(F)F)n(-c2cc(Nc3c(C)c(-c4ccc(C(F)(F)F)nc4)nn3C)ncn2)n1.
What is the InChIKey of 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine?
The InChIKey is VNGSCRACHWOLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N8/c1-10-6-13(18(21)22)33(30-10)16-7-15(27-9-28-16)29-19-11(2)17(31-32(19)3)12-4-5-14(26-8-12)20(23,24)25/h4-9,18H,1-3H3,(H,27,28,29).
What are the key properties of 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine?
6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine has a molecular weight of 464.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1,4-dimethyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).