[5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

C19H19F2N7O2 — CID 11502540

IUPAC[5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCC(F)(F)CC3)cc2-c2ccc(N)nc2)nn1
InChIInChI=1S/C19H19F2N7O2/c1-30-17-5-4-16(24-25-17)28-14(12-2-3-15(22)23-11-12)10-13(26-28)18(29)27-8-6-19(20,21)7-9-27/h2-5,10-11H,6-9H2,1H3,(H2,22,23)
InChIKeyNXDCXBCEOFXDOJ-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.19
Rot. Bonds4

About [5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

[5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 11502540) has the molecular formula C19H19F2N7O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is [5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID11502540
Molecular FormulaC19H19F2N7O2
Molecular Weight415.40 g/mol
Exact Mass415.16
IUPAC Name[5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCC(F)(F)CC3)cc2-c2ccc(N)nc2)nn1
InChIInChI=1S/C19H19F2N7O2/c1-30-17-5-4-16(24-25-17)28-14(12-2-3-15(22)23-11-12)10-13(26-28)18(29)27-8-6-19(20,21)7-9-27/h2-5,10-11H,6-9H2,1H3,(H2,22,23)
InChIKeyNXDCXBCEOFXDOJ-UHFFFAOYSA-N
XLogP2.19
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 11502540) is [5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is COc1ccc(-n2nc(C(=O)N3CCC(F)(F)CC3)cc2-c2ccc(N)nc2)nn1.
What is the InChIKey of [5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is NXDCXBCEOFXDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O2/c1-30-17-5-4-16(24-25-17)28-14(12-2-3-15(22)23-11-12)10-13(26-28)18(29)27-8-6-19(20,21)7-9-27/h2-5,10-11H,6-9H2,1H3,(H2,22,23).
What are the key properties of [5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 415.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-amino-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 11502540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).