7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine

C21H23ClFN5 — CID 166749994

IUPAC7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine
SMILESFC1CCN(c2ccc3ncc(Cl)c(-c4ccn(C5CCNCC5)c4)c3n2)C1
InChIInChI=1S/C21H23ClFN5/c22-17-11-25-18-1-2-19(28-10-6-15(23)13-28)26-21(18)20(17)14-5-9-27(12-14)16-3-7-24-8-4-16/h1-2,5,9,11-12,15-16,24H,3-4,6-8,10,13H2
InChIKeyPAXMYDANSCORGU-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.22
Rot. Bonds3

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

7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine (PubChem CID 166749994) has the molecular formula C21H23ClFN5 and a molecular weight of 399.90 g/mol. Its IUPAC name is 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine
PubChem CID166749994
Molecular FormulaC21H23ClFN5
Molecular Weight399.90 g/mol
Exact Mass399.16
IUPAC Name7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine
SMILESFC1CCN(c2ccc3ncc(Cl)c(-c4ccn(C5CCNCC5)c4)c3n2)C1
InChIInChI=1S/C21H23ClFN5/c22-17-11-25-18-1-2-19(28-10-6-15(23)13-28)26-21(18)20(17)14-5-9-27(12-14)16-3-7-24-8-4-16/h1-2,5,9,11-12,15-16,24H,3-4,6-8,10,13H2
InChIKeyPAXMYDANSCORGU-UHFFFAOYSA-N
XLogP4.22
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tpl2 Kinase Inhibitor
CID 9549300
SD-208
CID 10316032
Bms-279700
CID 9844320
Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381
Pyrazine-Pyridine Biheteroaryl 55
CID 5330383
Pyrazine-Pyridine Biheteroaryl 56
CID 5330390
3-(2,6-dichlorophenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330142
Pyrazine-Pyridine Biheteroaryl 51
CID 5330379
2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine
CID 132274773

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine?
The IUPAC name of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine (CID 166749994) is 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine.
What is the SMILES notation for 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine?
The canonical SMILES for 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine is FC1CCN(c2ccc3ncc(Cl)c(-c4ccn(C5CCNCC5)c4)c3n2)C1.
What is the InChIKey of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine?
The InChIKey is PAXMYDANSCORGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN5/c22-17-11-25-18-1-2-19(28-10-6-15(23)13-28)26-21(18)20(17)14-5-9-27(12-14)16-3-7-24-8-4-16/h1-2,5,9,11-12,15-16,24H,3-4,6-8,10,13H2.
What are the key properties of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine?
7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine has a molecular weight of 399.90 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine is sourced from PubChem (CID 166749994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).