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

C24H24N8 — CID 137115921

IUPAC5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESCN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)cc45)cc23)CC1
InChIInChI=1S/C24H24N8/c1-31-4-6-32(7-5-31)23-14-27-13-22-18(23)10-21(28-22)24-19-9-15(2-3-20(19)29-30-24)16-8-17(25)12-26-11-16/h2-3,8-14,28H,4-7,25H2,1H3,(H,29,30)
InChIKeyDYAWJTGMKQBLIW-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.50
Rot. Bonds3

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

5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137115921) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
PubChem CID137115921
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC Name5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
SMILESCN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)cc45)cc23)CC1
InChIInChI=1S/C24H24N8/c1-31-4-6-32(7-5-31)23-14-27-13-22-18(23)10-21(28-22)24-19-9-15(2-3-20(19)29-30-24)16-8-17(25)12-26-11-16/h2-3,8-14,28H,4-7,25H2,1H3,(H,29,30)
InChIKeyDYAWJTGMKQBLIW-UHFFFAOYSA-N
XLogP3.50
TPSA102.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine (CID 137115921) is 5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N)c6)cc45)cc23)CC1.
What is the InChIKey of 5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is DYAWJTGMKQBLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-31-4-6-32(7-5-31)23-14-27-13-22-18(23)10-21(28-22)24-19-9-15(2-3-20(19)29-30-24)16-8-17(25)12-26-11-16/h2-3,8-14,28H,4-7,25H2,1H3,(H,29,30).
What are the key properties of 5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine?
5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 424.51 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137115921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).