2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile

C19H26FN7O — CID 165385907

IUPAC2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
SMILESCc1nn(C(C)(C)C#N)cc1Nc1nccc(OCC2(F)CCN(C)CC2)n1
InChIInChI=1S/C19H26FN7O/c1-14-15(11-27(25-14)18(2,3)12-21)23-17-22-8-5-16(24-17)28-13-19(20)6-9-26(4)10-7-19/h5,8,11H,6-7,9-10,13H2,1-4H3,(H,22,23,24)
InChIKeyLPNSLRZOATYSSB-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.80
Rot. Bonds6

About 2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile

2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile (PubChem CID 165385907) has the molecular formula C19H26FN7O and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
PubChem CID165385907
Molecular FormulaC19H26FN7O
Molecular Weight387.46 g/mol
Exact Mass387.22
IUPAC Name2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
SMILESCc1nn(C(C)(C)C#N)cc1Nc1nccc(OCC2(F)CCN(C)CC2)n1
InChIInChI=1S/C19H26FN7O/c1-14-15(11-27(25-14)18(2,3)12-21)23-17-22-8-5-16(24-17)28-13-19(20)6-9-26(4)10-7-19/h5,8,11H,6-7,9-10,13H2,1-4H3,(H,22,23,24)
InChIKeyLPNSLRZOATYSSB-UHFFFAOYSA-N
XLogP2.80
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile (CID 165385907) is 2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile is Cc1nn(C(C)(C)C#N)cc1Nc1nccc(OCC2(F)CCN(C)CC2)n1.
What is the InChIKey of 2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile?
The InChIKey is LPNSLRZOATYSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN7O/c1-14-15(11-27(25-14)18(2,3)12-21)23-17-22-8-5-16(24-17)28-13-19(20)6-9-26(4)10-7-19/h5,8,11H,6-7,9-10,13H2,1-4H3,(H,22,23,24).
What are the key properties of 2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile?
2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile has a molecular weight of 387.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(4-fluoro-1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 165385907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).