4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine

C30H28F2N6O — CID 123529704

IUPAC4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESCc1cnc2nc(-c3cc(F)ccc3F)cc(-c3cncc(-c4cnn(CCCN5CCOCC5)c4)c3)c2c1
InChIInChI=1S/C30H28F2N6O/c1-20-11-26-25(14-29(36-30(26)34-15-20)27-13-24(31)3-4-28(27)32)22-12-21(16-33-17-22)23-18-35-38(19-23)6-2-5-37-7-9-39-10-8-37/h3-4,11-19H,2,5-10H2,1H3
InChIKeyURSNRPKMURMZRM-UHFFFAOYSA-N
MW526.59 g/mol
LogP5.53
Rot. Bonds7

About 4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine

4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (PubChem CID 123529704) has the molecular formula C30H28F2N6O and a molecular weight of 526.59 g/mol. Its IUPAC name is 4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
PubChem CID123529704
Molecular FormulaC30H28F2N6O
Molecular Weight526.59 g/mol
Exact Mass526.23
IUPAC Name4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine
SMILESCc1cnc2nc(-c3cc(F)ccc3F)cc(-c3cncc(-c4cnn(CCCN5CCOCC5)c4)c3)c2c1
InChIInChI=1S/C30H28F2N6O/c1-20-11-26-25(14-29(36-30(26)34-15-20)27-13-24(31)3-4-28(27)32)22-12-21(16-33-17-22)23-18-35-38(19-23)6-2-5-37-7-9-39-10-8-37/h3-4,11-19H,2,5-10H2,1H3
InChIKeyURSNRPKMURMZRM-UHFFFAOYSA-N
XLogP5.53
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Abt-702
CID 1973
Apy0201
CID 56927660
Bay-41-8543
CID 9953906
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Vabametkib
CID 73504719
Pyrazolo pyrimidine, 5k
CID 25196900
Pyrazolo pyrimidine, 5l
CID 44520816
5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10005239
5-[1-(2-Bromo-phenyl)-ethyl]-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10435708
Sos1-IN-11
CID 156526876
4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
N-butyl-4-[2-(4-fluorophenyl)-7-morpholino-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 5275713

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine (CID 123529704) is 4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is Cc1cnc2nc(-c3cc(F)ccc3F)cc(-c3cncc(-c4cnn(CCCN5CCOCC5)c4)c3)c2c1.
What is the InChIKey of 4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
The InChIKey is URSNRPKMURMZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6O/c1-20-11-26-25(14-29(36-30(26)34-15-20)27-13-24(31)3-4-28(27)32)22-12-21(16-33-17-22)23-18-35-38(19-23)6-2-5-37-7-9-39-10-8-37/h3-4,11-19H,2,5-10H2,1H3.
What are the key properties of 4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine?
4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine has a molecular weight of 526.59 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[5-[2-(2,5-difluorophenyl)-6-methyl-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 123529704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).