1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine

C25H23FN6 — CID 139392696

IUPAC1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine
SMILESCC1(N)CCN(c2c(-c3ccc4[nH]ccc4c3)cncc2-c2nc3c(F)cccc3[nH]2)C1
InChIInChI=1S/C25H23FN6/c1-25(27)8-10-32(14-25)23-17(15-5-6-20-16(11-15)7-9-29-20)12-28-13-18(23)24-30-21-4-2-3-19(26)22(21)31-24/h2-7,9,11-13,29H,8,10,14,27H2,1H3,(H,30,31)
InChIKeyCOEGUULEHWGDDW-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.84
Rot. Bonds3

About 1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine

1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine (PubChem CID 139392696) has the molecular formula C25H23FN6 and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine
PubChem CID139392696
Molecular FormulaC25H23FN6
Molecular Weight426.50 g/mol
Exact Mass426.20
IUPAC Name1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine
SMILESCC1(N)CCN(c2c(-c3ccc4[nH]ccc4c3)cncc2-c2nc3c(F)cccc3[nH]2)C1
InChIInChI=1S/C25H23FN6/c1-25(27)8-10-32(14-25)23-17(15-5-6-20-16(11-15)7-9-29-20)12-28-13-18(23)24-30-21-4-2-3-19(26)22(21)31-24/h2-7,9,11-13,29H,8,10,14,27H2,1H3,(H,30,31)
InChIKeyCOEGUULEHWGDDW-UHFFFAOYSA-N
XLogP4.84
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 139392773
(3S)-1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-[2-(trifluoromethyl)-4-pyridinyl]-4-pyridinyl]-3-methylpyrrolidin-3-amine
CID 139392551
5-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-(4-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]-2-fluorobenzamide
CID 139392846
5-[4-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-5-(7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 139392634
4-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile
CID 139392695
4-[4-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-5-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-3-pyridinyl]pyridine-2-carbonitrile
CID 139392679
1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
CID 139392789
3-[4-(3-amino-4-fluoropyrrolidin-1-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]benzonitrile
CID 139392805
5-[4-[(3S)-3-aminopyrrolidin-1-yl]-5-(4,5-difluoro-1H-benzimidazol-2-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 139392794
4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 60784143
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine?
The IUPAC name of 1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine (CID 139392696) is 1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine is CC1(N)CCN(c2c(-c3ccc4[nH]ccc4c3)cncc2-c2nc3c(F)cccc3[nH]2)C1.
What is the InChIKey of 1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine?
The InChIKey is COEGUULEHWGDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6/c1-25(27)8-10-32(14-25)23-17(15-5-6-20-16(11-15)7-9-29-20)12-28-13-18(23)24-30-21-4-2-3-19(26)22(21)31-24/h2-7,9,11-13,29H,8,10,14,27H2,1H3,(H,30,31).
What are the key properties of 1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine?
1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine has a molecular weight of 426.50 g/mol, XLogP of 4.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-4-pyridinyl]-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 139392696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).