6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol

C19H18N4O2 — CID 137251575

IUPAC6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1ccccc1-n1cc(C(C)n2cc3ncccc3c2O)cn1
InChIInChI=1S/C19H18N4O2/c1-13(22-12-16-15(19(22)24)6-5-9-20-16)14-10-21-23(11-14)17-7-3-4-8-18(17)25-2/h3-13,24H,1-2H3
InChIKeyDJNOHSRKKIBKMT-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.55
Rot. Bonds4

About 6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol

6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137251575) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137251575
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1ccccc1-n1cc(C(C)n2cc3ncccc3c2O)cn1
InChIInChI=1S/C19H18N4O2/c1-13(22-12-16-15(19(22)24)6-5-9-20-16)14-10-21-23(11-14)17-7-3-4-8-18(17)25-2/h3-13,24H,1-2H3
InChIKeyDJNOHSRKKIBKMT-UHFFFAOYSA-N
XLogP3.55
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137251575) is 6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol is COc1ccccc1-n1cc(C(C)n2cc3ncccc3c2O)cn1.
What is the InChIKey of 6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is DJNOHSRKKIBKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(22-12-16-15(19(22)24)6-5-9-20-16)14-10-21-23(11-14)17-7-3-4-8-18(17)25-2/h3-13,24H,1-2H3.
What are the key properties of 6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol?
6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 334.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137251575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).