5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C24H17N7 — CID 137114111

IUPAC5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESNc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C24H17N7/c25-17-9-16(12-27-13-17)15-1-2-21-18(10-15)24(31-30-21)22-11-19-20(29-22)5-8-28-23(19)14-3-6-26-7-4-14/h1-13,29H,25H2,(H,30,31)
InChIKeyPHNXUSOSHCQKGM-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.81
Rot. Bonds3

About 5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137114111) has the molecular formula C24H17N7 and a molecular weight of 403.45 g/mol. Its IUPAC name is 5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
PubChem CID137114111
Molecular FormulaC24H17N7
Molecular Weight403.45 g/mol
Exact Mass403.15
IUPAC Name5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESNc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C24H17N7/c25-17-9-16(12-27-13-17)15-1-2-21-18(10-15)24(31-30-21)22-11-19-20(29-22)5-8-28-23(19)14-3-6-26-7-4-14/h1-13,29H,25H2,(H,30,31)
InChIKeyPHNXUSOSHCQKGM-UHFFFAOYSA-N
XLogP4.81
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 137114111) is 5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is PHNXUSOSHCQKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7/c25-17-9-16(12-27-13-17)15-1-2-21-18(10-15)24(31-30-21)22-11-19-20(29-22)5-8-28-23(19)14-3-6-26-7-4-14/h1-13,29H,25H2,(H,30,31).
What are the key properties of 5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 403.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137114111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).