5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole

C20H15N5 — CID 137116186

IUPAC5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3cc4ccncc4[nH]3)c2c1
InChIInChI=1S/C20H15N5/c1-12-4-6-21-10-16(12)13-2-3-17-15(8-13)20(25-24-17)18-9-14-5-7-22-11-19(14)23-18/h2-11,23H,1H3,(H,24,25)
InChIKeyYFDHPNHEIRYYCW-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.48
Rot. Bonds2

About 5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole

5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole (PubChem CID 137116186) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole
PubChem CID137116186
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole
SMILESCc1ccncc1-c1ccc2[nH]nc(-c3cc4ccncc4[nH]3)c2c1
InChIInChI=1S/C20H15N5/c1-12-4-6-21-10-16(12)13-2-3-17-15(8-13)20(25-24-17)18-9-14-5-7-22-11-19(14)23-18/h2-11,23H,1H3,(H,24,25)
InChIKeyYFDHPNHEIRYYCW-UHFFFAOYSA-N
XLogP4.48
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole?
The IUPAC name of 5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole (CID 137116186) is 5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole.
What is the SMILES notation for 5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole?
The canonical SMILES for 5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole is Cc1ccncc1-c1ccc2[nH]nc(-c3cc4ccncc4[nH]3)c2c1.
What is the InChIKey of 5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole?
The InChIKey is YFDHPNHEIRYYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-12-4-6-21-10-16(12)13-2-3-17-15(8-13)20(25-24-17)18-9-14-5-7-22-11-19(14)23-18/h2-11,23H,1H3,(H,24,25).
What are the key properties of 5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole?
5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole has a molecular weight of 325.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole is sourced from PubChem (CID 137116186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).