6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H24F3N9 — CID 146660307

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H24F3N9/c1-39-19-25(17-37-39)23-12-27(29-24(13-34)16-38-42(29)20-23)22-4-5-28(36-15-22)41-9-7-40(8-10-41)6-2-3-21-11-26(18-35-14-21)30(31,32)33/h4-5,11-12,14-20H,6-10H2,1H3
InChIKeyHRBWRFZMIXZEDG-UHFFFAOYSA-N
MW567.58 g/mol
LogP4.26
Rot. Bonds4

About 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146660307) has the molecular formula C30H24F3N9 and a molecular weight of 567.58 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146660307
Molecular FormulaC30H24F3N9
Molecular Weight567.58 g/mol
Exact Mass567.21
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H24F3N9/c1-39-19-25(17-37-39)23-12-27(29-24(13-34)16-38-42(29)20-23)22-4-5-28(36-15-22)41-9-7-40(8-10-41)6-2-3-21-11-26(18-35-14-21)30(31,32)33/h4-5,11-12,14-20H,6-10H2,1H3
InChIKeyHRBWRFZMIXZEDG-UHFFFAOYSA-N
XLogP4.26
TPSA91.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.58
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146660307) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(CC#Cc5cncc(C(F)(F)F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HRBWRFZMIXZEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N9/c1-39-19-25(17-37-39)23-12-27(29-24(13-34)16-38-42(29)20-23)22-4-5-28(36-15-22)41-9-7-40(8-10-41)6-2-3-21-11-26(18-35-14-21)30(31,32)33/h4-5,11-12,14-20H,6-10H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 567.58 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-ynyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146660307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).