7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine

C19H20ClFN6 — CID 166749896

IUPAC7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine
SMILESFC1CCN(c2ccc3ncc(Cl)c(-c4cnn(C5CCNC5)c4)c3n2)C1
InChIInChI=1S/C19H20ClFN6/c20-15-9-23-16-1-2-17(26-6-4-13(21)11-26)25-19(16)18(15)12-7-24-27(10-12)14-3-5-22-8-14/h1-2,7,9-10,13-14,22H,3-6,8,11H2
InChIKeyQDWNDZOCDFKADQ-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.23
Rot. Bonds3

About 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine

7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine (PubChem CID 166749896) has the molecular formula C19H20ClFN6 and a molecular weight of 386.86 g/mol. Its IUPAC name is 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine
PubChem CID166749896
Molecular FormulaC19H20ClFN6
Molecular Weight386.86 g/mol
Exact Mass386.14
IUPAC Name7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine
SMILESFC1CCN(c2ccc3ncc(Cl)c(-c4cnn(C5CCNC5)c4)c3n2)C1
InChIInChI=1S/C19H20ClFN6/c20-15-9-23-16-1-2-17(26-6-4-13(21)11-26)25-19(16)18(15)12-7-24-27(10-12)14-3-5-22-8-14/h1-2,7,9-10,13-14,22H,3-6,8,11H2
InChIKeyQDWNDZOCDFKADQ-UHFFFAOYSA-N
XLogP3.23
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
The IUPAC name of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine (CID 166749896) is 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine.
What is the SMILES notation for 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
The canonical SMILES for 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine is FC1CCN(c2ccc3ncc(Cl)c(-c4cnn(C5CCNC5)c4)c3n2)C1.
What is the InChIKey of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
The InChIKey is QDWNDZOCDFKADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN6/c20-15-9-23-16-1-2-17(26-6-4-13(21)11-26)25-19(16)18(15)12-7-24-27(10-12)14-3-5-22-8-14/h1-2,7,9-10,13-14,22H,3-6,8,11H2.
What are the key properties of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine?
7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine has a molecular weight of 386.86 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 166749896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).