N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine

C25H27FN6O — CID 127249117

IUPACN-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine
SMILESCCCn1c(CN2CCOC(c3ccc(Nc4ccc(F)cn4)cn3)C2)nc2ccccc21
InChIInChI=1S/C25H27FN6O/c1-2-11-32-22-6-4-3-5-20(22)30-25(32)17-31-12-13-33-23(16-31)21-9-8-19(15-27-21)29-24-10-7-18(26)14-28-24/h3-10,14-15,23H,2,11-13,16-17H2,1H3,(H,28,29)
InChIKeyGHAIKPOSLDNZLR-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.69
Rot. Bonds7

About N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine

N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine (PubChem CID 127249117) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine
PubChem CID127249117
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine
SMILESCCCn1c(CN2CCOC(c3ccc(Nc4ccc(F)cn4)cn3)C2)nc2ccccc21
InChIInChI=1S/C25H27FN6O/c1-2-11-32-22-6-4-3-5-20(22)30-25(32)17-31-12-13-33-23(16-31)21-9-8-19(15-27-21)29-24-10-7-18(26)14-28-24/h3-10,14-15,23H,2,11-13,16-17H2,1H3,(H,28,29)
InChIKeyGHAIKPOSLDNZLR-UHFFFAOYSA-N
XLogP4.69
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine with MolForge

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Related Compounds

6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
6-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124959514
1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 79753236
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249190
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 96997039
6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
CID 124967652
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084
3-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959757
3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959756

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine (CID 127249117) is N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine is CCCn1c(CN2CCOC(c3ccc(Nc4ccc(F)cn4)cn3)C2)nc2ccccc21.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine?
The InChIKey is GHAIKPOSLDNZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-2-11-32-22-6-4-3-5-20(22)30-25(32)17-31-12-13-33-23(16-31)21-9-8-19(15-27-21)29-24-10-7-18(26)14-28-24/h3-10,14-15,23H,2,11-13,16-17H2,1H3,(H,28,29).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine?
N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine has a molecular weight of 446.53 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-[4-[(1-propylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-3-amine is sourced from PubChem (CID 127249117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).