4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C30H32FN7O2 — CID 134437078

IUPAC4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCN(C(=O)C(CN(C)C)c4ccc(F)cc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H32FN7O2/c1-4-40-25-15-26(29-23(16-32)18-34-38(29)19-25)22-7-10-28(33-17-22)36-11-13-37(14-12-36)30(39)27(20-35(2)3)21-5-8-24(31)9-6-21/h5-10,15,17-19,27H,4,11-14,20H2,1-3H3
InChIKeyKEUHOEUVJXIXEJ-UHFFFAOYSA-N
MW541.63 g/mol
LogP3.80
Rot. Bonds8

About 4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134437078) has the molecular formula C30H32FN7O2 and a molecular weight of 541.63 g/mol. Its IUPAC name is 4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134437078
Molecular FormulaC30H32FN7O2
Molecular Weight541.63 g/mol
Exact Mass541.26
IUPAC Name4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCN(C(=O)C(CN(C)C)c4ccc(F)cc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H32FN7O2/c1-4-40-25-15-26(29-23(16-32)18-34-38(29)19-25)22-7-10-28(33-17-22)36-11-13-37(14-12-36)30(39)27(20-35(2)3)21-5-8-24(31)9-6-21/h5-10,15,17-19,27H,4,11-14,20H2,1-3H3
InChIKeyKEUHOEUVJXIXEJ-UHFFFAOYSA-N
XLogP3.80
TPSA90.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.63
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134437078) is 4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCN(C(=O)C(CN(C)C)c4ccc(F)cc4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is KEUHOEUVJXIXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O2/c1-4-40-25-15-26(29-23(16-32)18-34-38(29)19-25)22-7-10-28(33-17-22)36-11-13-37(14-12-36)30(39)27(20-35(2)3)21-5-8-24(31)9-6-21/h5-10,15,17-19,27H,4,11-14,20H2,1-3H3.
What are the key properties of 4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 541.63 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[3-(dimethylamino)-2-(4-fluorophenyl)propanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134437078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).