4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine

C34H33FN8O2 — CID 123836500

IUPAC4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
SMILESCc1[nH]c2ncc(-c3cncc(CN4CCOCC4)c3)cc2c1-c1nc2c(-c3cc(F)cc(N4CCOCC4)c3)cncc2[nH]1
InChIInChI=1S/C34H33FN8O2/c1-21-31(28-13-25(17-38-33(28)39-21)24-10-22(15-36-16-24)20-42-2-6-44-7-3-42)34-40-30-19-37-18-29(32(30)41-34)23-11-26(35)14-27(12-23)43-4-8-45-9-5-43/h10-19H,2-9,20H2,1H3,(H,38,39)(H,40,41)
InChIKeyZCLVTCSHZIVPBB-UHFFFAOYSA-N
MW604.69 g/mol
LogP5.35
Rot. Bonds6

About 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine

4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine (PubChem CID 123836500) has the molecular formula C34H33FN8O2 and a molecular weight of 604.69 g/mol. Its IUPAC name is 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
PubChem CID123836500
Molecular FormulaC34H33FN8O2
Molecular Weight604.69 g/mol
Exact Mass604.27
IUPAC Name4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine
SMILESCc1[nH]c2ncc(-c3cncc(CN4CCOCC4)c3)cc2c1-c1nc2c(-c3cc(F)cc(N4CCOCC4)c3)cncc2[nH]1
InChIInChI=1S/C34H33FN8O2/c1-21-31(28-13-25(17-38-33(28)39-21)24-10-22(15-36-16-24)20-42-2-6-44-7-3-42)34-40-30-19-37-18-29(32(30)41-34)23-11-26(35)14-27(12-23)43-4-8-45-9-5-43/h10-19H,2-9,20H2,1H3,(H,38,39)(H,40,41)
InChIKeyZCLVTCSHZIVPBB-UHFFFAOYSA-N
XLogP5.35
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.69
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine 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

8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260
2-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378051
12-[4-(Piperidin-1-ylmethyl)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44546493
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-c]pyridin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720886
N-ethyl-6-fluoro-3-(2-morpholin-4-ylpyrimidin-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146646637
8-fluoro-N-[3-(morpholin-4-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 1945930
(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-1-methylimidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
CID 118720887
5-(2-(4-Fluorophenyl)-9-morpholino-1,2,3,4-tetrahydropyrido[3',4':4,5]imidazo[1,2-a]pyrazin-7-yl)pyrimidin-2-amine
CID 137642764
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
4-morpholino-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 10006162

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
The IUPAC name of 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine (CID 123836500) is 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine.
What is the SMILES notation for 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
The canonical SMILES for 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine is Cc1[nH]c2ncc(-c3cncc(CN4CCOCC4)c3)cc2c1-c1nc2c(-c3cc(F)cc(N4CCOCC4)c3)cncc2[nH]1.
What is the InChIKey of 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
The InChIKey is ZCLVTCSHZIVPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN8O2/c1-21-31(28-13-25(17-38-33(28)39-21)24-10-22(15-36-16-24)20-42-2-6-44-7-3-42)34-40-30-19-37-18-29(32(30)41-34)23-11-26(35)14-27(12-23)43-4-8-45-9-5-43/h10-19H,2-9,20H2,1H3,(H,38,39)(H,40,41).
What are the key properties of 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine?
4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine has a molecular weight of 604.69 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[2-[2-methyl-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]morpholine is sourced from PubChem (CID 123836500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).