5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine

C30H28FN7O — CID 126562117

IUPAC5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2cncc3[nH]c(C4=NCCc5ncc(-c6cn[nH]c6)cc54)cc23)c1
InChIInChI=1S/C30H28FN7O/c31-22-9-19(10-23(12-22)39-8-7-38-5-1-2-6-38)26-17-32-18-29-24(26)13-28(37-29)30-25-11-20(21-15-35-36-16-21)14-34-27(25)3-4-33-30/h9-18,37H,1-8H2,(H,35,36)
InChIKeyNRYWTBUZNDNIKY-UHFFFAOYSA-N
MW521.60 g/mol
LogP5.02
Rot. Bonds7

About 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine

5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine (PubChem CID 126562117) has the molecular formula C30H28FN7O and a molecular weight of 521.60 g/mol. Its IUPAC name is 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine.

Molecular Properties

Compound Name5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine
PubChem CID126562117
Molecular FormulaC30H28FN7O
Molecular Weight521.60 g/mol
Exact Mass521.23
IUPAC Name5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2cncc3[nH]c(C4=NCCc5ncc(-c6cn[nH]c6)cc54)cc23)c1
InChIInChI=1S/C30H28FN7O/c31-22-9-19(10-23(12-22)39-8-7-38-5-1-2-6-38)26-17-32-18-29-24(26)13-28(37-29)30-25-11-20(21-15-35-36-16-21)14-34-27(25)3-4-33-30/h9-18,37H,1-8H2,(H,35,36)
InChIKeyNRYWTBUZNDNIKY-UHFFFAOYSA-N
XLogP5.02
TPSA95.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.60
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine with MolForge

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Related Compounds

A-443654
CID 10172943
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731838
3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
5-{5-[(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647002
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(trifluoromethyl)-1H-indazole
CID 23647432
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazol-6-amine
CID 23647434

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine?
The IUPAC name of 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine (CID 126562117) is 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine.
What is the SMILES notation for 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine?
The canonical SMILES for 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine is Fc1cc(OCCN2CCCC2)cc(-c2cncc3[nH]c(C4=NCCc5ncc(-c6cn[nH]c6)cc54)cc23)c1.
What is the InChIKey of 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine?
The InChIKey is NRYWTBUZNDNIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN7O/c31-22-9-19(10-23(12-22)39-8-7-38-5-1-2-6-38)26-17-32-18-29-24(26)13-28(37-29)30-25-11-20(21-15-35-36-16-21)14-34-27(25)3-4-33-30/h9-18,37H,1-8H2,(H,35,36).
What are the key properties of 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine?
5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine has a molecular weight of 521.60 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-(1H-pyrazol-4-yl)-7,8-dihydro-1,6-naphthyridine is sourced from PubChem (CID 126562117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).