2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol

C20H20F2N4O — CID 119099054

IUPAC2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol
SMILESCc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C(C)(C)O)nc2)c1
InChIInChI=1S/C20H20F2N4O/c1-12-8-15(14-4-5-16(24-11-14)20(2,3)27)25-18(9-12)26-17-10-13(19(21)22)6-7-23-17/h4-11,19,27H,1-3H3,(H,23,25,26)
InChIKeyZJZWOAPGAMOCMR-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.76
Rot. Bonds5

About 2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol

2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol (PubChem CID 119099054) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol
PubChem CID119099054
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol
SMILESCc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C(C)(C)O)nc2)c1
InChIInChI=1S/C20H20F2N4O/c1-12-8-15(14-4-5-16(24-11-14)20(2,3)27)25-18(9-12)26-17-10-13(19(21)22)6-7-23-17/h4-11,19,27H,1-3H3,(H,23,25,26)
InChIKeyZJZWOAPGAMOCMR-UHFFFAOYSA-N
XLogP4.76
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol (CID 119099054) is 2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol is Cc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C(C)(C)O)nc2)c1.
What is the InChIKey of 2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol?
The InChIKey is ZJZWOAPGAMOCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-12-8-15(14-4-5-16(24-11-14)20(2,3)27)25-18(9-12)26-17-10-13(19(21)22)6-7-23-17/h4-11,19,27H,1-3H3,(H,23,25,26).
What are the key properties of 2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol?
2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol has a molecular weight of 370.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 119099054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).