1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol

C21H20F2N4O — CID 119098893

IUPAC1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol
SMILESCc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C3(O)CCC3)nc2)c1
InChIInChI=1S/C21H20F2N4O/c1-13-9-16(15-3-4-17(25-12-15)21(28)6-2-7-21)26-19(10-13)27-18-11-14(20(22)23)5-8-24-18/h3-5,8-12,20,28H,2,6-7H2,1H3,(H,24,26,27)
InChIKeyOGMUFDWHRNRUMA-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.90
Rot. Bonds5

About 1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol

1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol (PubChem CID 119098893) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol
PubChem CID119098893
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol
SMILESCc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C3(O)CCC3)nc2)c1
InChIInChI=1S/C21H20F2N4O/c1-13-9-16(15-3-4-17(25-12-15)21(28)6-2-7-21)26-19(10-13)27-18-11-14(20(22)23)5-8-24-18/h3-5,8-12,20,28H,2,6-7H2,1H3,(H,24,26,27)
InChIKeyOGMUFDWHRNRUMA-UHFFFAOYSA-N
XLogP4.90
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol (CID 119098893) is 1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol is Cc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C3(O)CCC3)nc2)c1.
What is the InChIKey of 1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is OGMUFDWHRNRUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-13-9-16(15-3-4-17(25-12-15)21(28)6-2-7-21)26-19(10-13)27-18-11-14(20(22)23)5-8-24-18/h3-5,8-12,20,28H,2,6-7H2,1H3,(H,24,26,27).
What are the key properties of 1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol?
1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 382.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 119098893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).