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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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).