4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol

C19H16N4O — CID 170357892

IUPAC4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
SMILESOc1ccc(C(Nc2ccncc2)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C19H16N4O/c24-15-5-3-13(4-6-15)18(23-14-7-10-20-11-8-14)17-12-22-19-16(17)2-1-9-21-19/h1-12,18,24H,(H,20,23)(H,21,22)
InChIKeyFPSQIBTVQDZTLQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.87
Rot. Bonds4

About 4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol

4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol (PubChem CID 170357892) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
PubChem CID170357892
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
SMILESOc1ccc(C(Nc2ccncc2)c2c[nH]c3ncccc23)cc1
InChIInChI=1S/C19H16N4O/c24-15-5-3-13(4-6-15)18(23-14-7-10-20-11-8-14)17-12-22-19-16(17)2-1-9-21-19/h1-12,18,24H,(H,20,23)(H,21,22)
InChIKeyFPSQIBTVQDZTLQ-UHFFFAOYSA-N
XLogP3.87
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 170418991
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
CID 171872464
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 55271278
4-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-2-one
CID 11594145
(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol
CID 103789032
4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
CID 114331386
4-[1H-indol-3-yl-(pyrimidin-2-ylamino)methyl]benzoic acid
CID 110453289
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indol-5-ol
CID 58797909
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 46178830

Frequently Asked Questions

What is the IUPAC name of 4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
The IUPAC name of 4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol (CID 170357892) is 4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol is Oc1ccc(C(Nc2ccncc2)c2c[nH]c3ncccc23)cc1.
What is the InChIKey of 4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
The InChIKey is FPSQIBTVQDZTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-15-5-3-13(4-6-15)18(23-14-7-10-20-11-8-14)17-12-22-19-16(17)2-1-9-21-19/h1-12,18,24H,(H,20,23)(H,21,22).
What are the key properties of 4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol has a molecular weight of 316.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyridin-4-ylamino)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 170357892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).