7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine

C21H23ClFN5O — CID 146611846

IUPAC7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCOC1(C)CC(n2cc(-c3c(Cl)cnc4ccc(N5CCC(F)C5)nc34)cn2)C1
InChIInChI=1S/C21H23ClFN5O/c1-21(29-2)7-15(8-21)28-11-13(9-25-28)19-16(22)10-24-17-3-4-18(26-20(17)19)27-6-5-14(23)12-27/h3-4,9-11,14-15H,5-8,12H2,1-2H3
InChIKeyLVVQZTQTSISTKR-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.43
Rot. Bonds4

About 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine

7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 146611846) has the molecular formula C21H23ClFN5O and a molecular weight of 415.90 g/mol. Its IUPAC name is 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID146611846
Molecular FormulaC21H23ClFN5O
Molecular Weight415.90 g/mol
Exact Mass415.16
IUPAC Name7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCOC1(C)CC(n2cc(-c3c(Cl)cnc4ccc(N5CCC(F)C5)nc34)cn2)C1
InChIInChI=1S/C21H23ClFN5O/c1-21(29-2)7-15(8-21)28-11-13(9-25-28)19-16(22)10-24-17-3-4-18(26-20(17)19)27-6-5-14(23)12-27/h3-4,9-11,14-15H,5-8,12H2,1-2H3
InChIKeyLVVQZTQTSISTKR-UHFFFAOYSA-N
XLogP4.43
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.43
H-Bond Donors ≤ 50
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-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine (CID 146611846) is 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine is COC1(C)CC(n2cc(-c3c(Cl)cnc4ccc(N5CCC(F)C5)nc34)cn2)C1.
What is the InChIKey of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is LVVQZTQTSISTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN5O/c1-21(29-2)7-15(8-21)28-11-13(9-25-28)19-16(22)10-24-17-3-4-18(26-20(17)19)27-6-5-14(23)12-27/h3-4,9-11,14-15H,5-8,12H2,1-2H3.
What are the key properties of 7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine?
7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 415.90 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 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-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 146611846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).