4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C27H30FN7O — CID 130245991

IUPAC4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOCC3C)cc(-c3ccc(N4CCNCC4)cc3F)c12
InChIInChI=1S/C27H30FN7O/c1-17-15-30-26(23-5-6-31-33-23)27-25(17)21(14-24(32-27)35-11-12-36-16-18(35)2)20-4-3-19(13-22(20)28)34-9-7-29-8-10-34/h3-6,13-15,18,29H,7-12,16H2,1-2H3,(H,31,33)
InChIKeyOEQSHZAKOGOMFO-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.77
Rot. Bonds4

About 4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 130245991) has the molecular formula C27H30FN7O and a molecular weight of 487.58 g/mol. Its IUPAC name is 4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID130245991
Molecular FormulaC27H30FN7O
Molecular Weight487.58 g/mol
Exact Mass487.25
IUPAC Name4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOCC3C)cc(-c3ccc(N4CCNCC4)cc3F)c12
InChIInChI=1S/C27H30FN7O/c1-17-15-30-26(23-5-6-31-33-23)27-25(17)21(14-24(32-27)35-11-12-36-16-18(35)2)20-4-3-19(13-22(20)28)34-9-7-29-8-10-34/h3-6,13-15,18,29H,7-12,16H2,1-2H3,(H,31,33)
InChIKeyOEQSHZAKOGOMFO-UHFFFAOYSA-N
XLogP3.77
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of 4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 130245991) is 4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOCC3C)cc(-c3ccc(N4CCNCC4)cc3F)c12.
What is the InChIKey of 4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is OEQSHZAKOGOMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O/c1-17-15-30-26(23-5-6-31-33-23)27-25(17)21(14-24(32-27)35-11-12-36-16-18(35)2)20-4-3-19(13-22(20)28)34-9-7-29-8-10-34/h3-6,13-15,18,29H,7-12,16H2,1-2H3,(H,31,33).
What are the key properties of 4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 487.58 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoro-4-piperazin-1-ylphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 130245991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).