4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile

C26H25FN8 — CID 165090338

IUPAC4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
SMILESCN1CCc2cc(-n3c(-c4ccc(C#N)c(F)c4)nc4c(N5CCC[C@@H](N)C5)ccnc43)cnc21
InChIInChI=1S/C26H25FN8/c1-33-10-7-17-11-20(14-31-24(17)33)35-25(16-4-5-18(13-28)21(27)12-16)32-23-22(6-8-30-26(23)35)34-9-2-3-19(29)15-34/h4-6,8,11-12,14,19H,2-3,7,9-10,15,29H2,1H3/t19-/m1/s1
InChIKeyWOYUDJJWOCERGZ-LJQANCHMSA-N
MW468.54 g/mol
LogP3.41
Rot. Bonds3

About 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile

4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile (PubChem CID 165090338) has the molecular formula C26H25FN8 and a molecular weight of 468.54 g/mol. Its IUPAC name is 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
PubChem CID165090338
Molecular FormulaC26H25FN8
Molecular Weight468.54 g/mol
Exact Mass468.22
IUPAC Name4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile
SMILESCN1CCc2cc(-n3c(-c4ccc(C#N)c(F)c4)nc4c(N5CCC[C@@H](N)C5)ccnc43)cnc21
InChIInChI=1S/C26H25FN8/c1-33-10-7-17-11-20(14-31-24(17)33)35-25(16-4-5-18(13-28)21(27)12-16)32-23-22(6-8-30-26(23)35)34-9-2-3-19(29)15-34/h4-6,8,11-12,14,19H,2-3,7,9-10,15,29H2,1H3/t19-/m1/s1
InChIKeyWOYUDJJWOCERGZ-LJQANCHMSA-N
XLogP3.41
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile (CID 165090338) is 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile is CN1CCc2cc(-n3c(-c4ccc(C#N)c(F)c4)nc4c(N5CCC[C@@H](N)C5)ccnc43)cnc21.
What is the InChIKey of 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile?
The InChIKey is WOYUDJJWOCERGZ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H25FN8/c1-33-10-7-17-11-20(14-31-24(17)33)35-25(16-4-5-18(13-28)21(27)12-16)32-23-22(6-8-30-26(23)35)34-9-2-3-19(29)15-34/h4-6,8,11-12,14,19H,2-3,7,9-10,15,29H2,1H3/t19-/m1/s1.
What are the key properties of 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile?
4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile has a molecular weight of 468.54 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(3R)-3-aminopiperidin-1-yl]-3-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-b]pyridin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 165090338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).