8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine

C30H21FN6OS — CID 145251200

IUPAC8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine
SMILESFc1ccc(-c2nccc3[nH]c(C4=NNCc5ccc(-c6cncc(OCc7ccccc7)c6)nc54)cc23)s1
InChIInChI=1S/C30H21FN6OS/c31-27-9-8-26(39-27)29-22-13-25(35-24(22)10-11-33-29)30-28-19(15-34-37-30)6-7-23(36-28)20-12-21(16-32-14-20)38-17-18-4-2-1-3-5-18/h1-14,16,34-35H,15,17H2
InChIKeyADNJPTPFWDLIIG-UHFFFAOYSA-N
MW532.60 g/mol
LogP6.32
Rot. Bonds6

About 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine

8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine (PubChem CID 145251200) has the molecular formula C30H21FN6OS and a molecular weight of 532.60 g/mol. Its IUPAC name is 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine
PubChem CID145251200
Molecular FormulaC30H21FN6OS
Molecular Weight532.60 g/mol
Exact Mass532.15
IUPAC Name8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine
SMILESFc1ccc(-c2nccc3[nH]c(C4=NNCc5ccc(-c6cncc(OCc7ccccc7)c6)nc54)cc23)s1
InChIInChI=1S/C30H21FN6OS/c31-27-9-8-26(39-27)29-22-13-25(35-24(22)10-11-33-29)30-28-19(15-34-37-30)6-7-23(36-28)20-12-21(16-32-14-20)38-17-18-4-2-1-3-5-18/h1-14,16,34-35H,15,17H2
InChIKeyADNJPTPFWDLIIG-UHFFFAOYSA-N
XLogP6.32
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.60
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine 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

3-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 10216158
5-{5-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647003
(S)-1-(1H-indol-3-yl)-3-(5-(3-(thiophen-2-yl)-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 10173974
(S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(thiophen-2-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11575817
3-[(2S)-2-amino-3-({5-[(E)-2-[2-(phenylsulfanyl)pyridin-4-yl]ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 23646989
3-[(2S)-2-amino-3-[(5-{thieno[3,2-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647539
N-[(2S)-1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-yl]thieno[2,3-c]pyridin-2-amine
CID 44412808
N-[(2S)-1-(1H-indol-3-yl)-3-[(5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-yl]thieno[3,2-c]pyridin-2-amine
CID 44412822
(2S)-1-[[5-(3-methyl-2H-indazol-5-yl)-6-(4-methylthiophen-2-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine;2,2,2-trifluoroacetic acid
CID 44529593
(S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(thiophen-3-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 46226413
1-(1H-indol-3-yl)-3-[(5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
CID 49830599
2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137110865

Frequently Asked Questions

What is the IUPAC name of 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine?
The IUPAC name of 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine (CID 145251200) is 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine.
What is the SMILES notation for 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine?
The canonical SMILES for 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine is Fc1ccc(-c2nccc3[nH]c(C4=NNCc5ccc(-c6cncc(OCc7ccccc7)c6)nc54)cc23)s1.
What is the InChIKey of 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine?
The InChIKey is ADNJPTPFWDLIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN6OS/c31-27-9-8-26(39-27)29-22-13-25(35-24(22)10-11-33-29)30-28-19(15-34-37-30)6-7-23(36-28)20-12-21(16-32-14-20)38-17-18-4-2-1-3-5-18/h1-14,16,34-35H,15,17H2.
What are the key properties of 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine?
8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine has a molecular weight of 532.60 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-(5-phenylmethoxy-3-pyridinyl)-5,6-dihydropyrido[2,3-d]pyridazine is sourced from PubChem (CID 145251200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).