3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

C33H31FN6O2 — CID 145247768

IUPAC3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCC1=C(c2cc3c(-c4cc(O)cc(F)c4)nccc3[nH]2)c2cc(-c3cncc(OCCN4CCCC4)c3)ncc2NC1
InChIInChI=1S/C33H31FN6O2/c1-20-16-37-31-19-38-29(22-12-25(18-35-17-22)42-9-8-40-6-2-3-7-40)14-26(31)32(20)30-15-27-28(39-30)4-5-36-33(27)21-10-23(34)13-24(41)11-21/h4-5,10-15,17-19,37,39,41H,2-3,6-9,16H2,1H3
InChIKeyUVHKXAGQMORPEF-UHFFFAOYSA-N
MW562.65 g/mol
LogP6.25
Rot. Bonds7

About 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (PubChem CID 145247768) has the molecular formula C33H31FN6O2 and a molecular weight of 562.65 g/mol. Its IUPAC name is 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
PubChem CID145247768
Molecular FormulaC33H31FN6O2
Molecular Weight562.65 g/mol
Exact Mass562.25
IUPAC Name3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
SMILESCC1=C(c2cc3c(-c4cc(O)cc(F)c4)nccc3[nH]2)c2cc(-c3cncc(OCCN4CCCC4)c3)ncc2NC1
InChIInChI=1S/C33H31FN6O2/c1-20-16-37-31-19-38-29(22-12-25(18-35-17-22)42-9-8-40-6-2-3-7-40)14-26(31)32(20)30-15-27-28(39-30)4-5-36-33(27)21-10-23(34)13-24(41)11-21/h4-5,10-15,17-19,37,39,41H,2-3,6-9,16H2,1H3
InChIKeyUVHKXAGQMORPEF-UHFFFAOYSA-N
XLogP6.25
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.65
LogP ≤ 56.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647442
US9725449, Example 301
CID 122694923
5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-(pyridin-4-yl)pyridin-3-amine
CID 23646951
5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-N-(pyridin-3-yl)pyridin-3-amine
CID 23646952
9-N-ethyl-8-ethoxy-manzamine A
CID 23643537
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol
CID 44535667
6-Methoxymanzamine A
CID 44626476
(S)-1-(3-(2-aminoethoxy)phenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481734
(S)-1-(3-fluorophenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481736
(S)-1-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(3-(2-morpholinoethoxy)phenyl)propan-2-amine
CID 45481745
(S)-1-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(3-(piperidin-4-ylmethoxy)phenyl)propan-2-amine
CID 45481746

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (CID 145247768) is 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is CC1=C(c2cc3c(-c4cc(O)cc(F)c4)nccc3[nH]2)c2cc(-c3cncc(OCCN4CCCC4)c3)ncc2NC1.
What is the InChIKey of 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
The InChIKey is UVHKXAGQMORPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN6O2/c1-20-16-37-31-19-38-29(22-12-25(18-35-17-22)42-9-8-40-6-2-3-7-40)14-26(31)32(20)30-15-27-28(39-30)4-5-36-33(27)21-10-23(34)13-24(41)11-21/h4-5,10-15,17-19,37,39,41H,2-3,6-9,16H2,1H3.
What are the key properties of 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?
3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol has a molecular weight of 562.65 g/mol, XLogP of 6.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is sourced from PubChem (CID 145247768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).