5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol

C19H13N5O2 — CID 137195787

IUPAC5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol
SMILESOc1cc(Nc2ccc3[nH]ncc3c2)oc1C=C1C=Nc2ncccc21
InChIInChI=1S/C19H13N5O2/c25-16-8-18(23-13-3-4-15-12(6-13)10-22-24-15)26-17(16)7-11-9-21-19-14(11)2-1-5-20-19/h1-10,23,25H,(H,22,24)
InChIKeyNEMQKYKQUMYJDT-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.26
Rot. Bonds3

About 5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol

5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol (PubChem CID 137195787) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol.

Molecular Properties

Compound Name5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol
PubChem CID137195787
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol
SMILESOc1cc(Nc2ccc3[nH]ncc3c2)oc1C=C1C=Nc2ncccc21
InChIInChI=1S/C19H13N5O2/c25-16-8-18(23-13-3-4-15-12(6-13)10-22-24-15)26-17(16)7-11-9-21-19-14(11)2-1-5-20-19/h1-10,23,25H,(H,22,24)
InChIKeyNEMQKYKQUMYJDT-UHFFFAOYSA-N
XLogP4.26
TPSA99.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol?
The IUPAC name of 5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol (CID 137195787) is 5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol.
What is the SMILES notation for 5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol?
The canonical SMILES for 5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol is Oc1cc(Nc2ccc3[nH]ncc3c2)oc1C=C1C=Nc2ncccc21.
What is the InChIKey of 5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol?
The InChIKey is NEMQKYKQUMYJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2/c25-16-8-18(23-13-3-4-15-12(6-13)10-22-24-15)26-17(16)7-11-9-21-19-14(11)2-1-5-20-19/h1-10,23,25H,(H,22,24).
What are the key properties of 5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol?
5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol has a molecular weight of 343.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-ylamino)-2-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-ol is sourced from PubChem (CID 137195787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).