[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol

C22H19N5O — CID 56910387

IUPAC[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol
SMILESOCc1cc2cc(-c3cc(NCc4cccnc4)nc4[nH]ccc34)ccc2[nH]1
InChIInChI=1S/C22H19N5O/c28-13-17-9-16-8-15(3-4-20(16)26-17)19-10-21(27-22-18(19)5-7-24-22)25-12-14-2-1-6-23-11-14/h1-11,26,28H,12-13H2,(H2,24,25,27)
InChIKeyINTCSCVVRFYYCR-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.21
Rot. Bonds5

About [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol

[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol (PubChem CID 56910387) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol
PubChem CID56910387
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol
SMILESOCc1cc2cc(-c3cc(NCc4cccnc4)nc4[nH]ccc34)ccc2[nH]1
InChIInChI=1S/C22H19N5O/c28-13-17-9-16-8-15(3-4-20(16)26-17)19-10-21(27-22-18(19)5-7-24-22)25-12-14-2-1-6-23-11-14/h1-11,26,28H,12-13H2,(H2,24,25,27)
InChIKeyINTCSCVVRFYYCR-UHFFFAOYSA-N
XLogP4.21
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol 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

4-(6-amino-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56907286
N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
CID 70775168
2-[[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methylsulfanyl]ethanol
CID 70760822
N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70708922
[2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol
CID 56887832
(1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol
CID 95876913
4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-carboxamide
CID 56901940
N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 70778971
4-(4-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70754705
4-(6-amino-2-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56895349
N-(pyridin-3-ylmethyl)-4-(4,5,6-trimethyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910898
(1R)-1-[6-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]ethanol
CID 95721717

Frequently Asked Questions

What is the IUPAC name of [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol?
The IUPAC name of [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol (CID 56910387) is [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol.
What is the SMILES notation for [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol?
The canonical SMILES for [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol is OCc1cc2cc(-c3cc(NCc4cccnc4)nc4[nH]ccc34)ccc2[nH]1.
What is the InChIKey of [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol?
The InChIKey is INTCSCVVRFYYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c28-13-17-9-16-8-15(3-4-20(16)26-17)19-10-21(27-22-18(19)5-7-24-22)25-12-14-2-1-6-23-11-14/h1-11,26,28H,12-13H2,(H2,24,25,27).
What are the key properties of [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol?
[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol has a molecular weight of 369.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol is sourced from PubChem (CID 56910387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).