[3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol

C18H16N4O — CID 57480641

IUPAC[3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol
SMILESCc1cc(CO)ccc1-n1cc(-c2ccnc3[nH]ccc23)cn1
InChIInChI=1S/C18H16N4O/c1-12-8-13(11-23)2-3-17(12)22-10-14(9-21-22)15-4-6-19-18-16(15)5-7-20-18/h2-10,23H,11H2,1H3,(H,19,20)
InChIKeyITDZZZNARHWVQA-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.22
Rot. Bonds3

About [3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol

[3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol (PubChem CID 57480641) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is [3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol
PubChem CID57480641
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name[3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol
SMILESCc1cc(CO)ccc1-n1cc(-c2ccnc3[nH]ccc23)cn1
InChIInChI=1S/C18H16N4O/c1-12-8-13(11-23)2-3-17(12)22-10-14(9-21-22)15-4-6-19-18-16(15)5-7-20-18/h2-10,23H,11H2,1H3,(H,19,20)
InChIKeyITDZZZNARHWVQA-UHFFFAOYSA-N
XLogP3.22
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol?
The IUPAC name of [3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol (CID 57480641) is [3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol.
What is the SMILES notation for [3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol?
The canonical SMILES for [3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol is Cc1cc(CO)ccc1-n1cc(-c2ccnc3[nH]ccc23)cn1.
What is the InChIKey of [3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol?
The InChIKey is ITDZZZNARHWVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-8-13(11-23)2-3-17(12)22-10-14(9-21-22)15-4-6-19-18-16(15)5-7-20-18/h2-10,23H,11H2,1H3,(H,19,20).
What are the key properties of [3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol?
[3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol has a molecular weight of 304.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol is sourced from PubChem (CID 57480641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).