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

C24H23N7 — CID 137117082

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
SMILESCN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)CC1
InChIInChI=1S/C24H23N7/c1-30-8-10-31(11-9-30)23-15-26-14-22-18(23)13-21(27-22)24-19-12-17(2-3-20(19)28-29-24)16-4-6-25-7-5-16/h2-7,12-15,27H,8-11H2,1H3,(H,28,29)
InChIKeyPGQCMACWSQGHME-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.92
Rot. Bonds3

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

3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole (PubChem CID 137117082) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
PubChem CID137117082
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC Name3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
SMILESCN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)CC1
InChIInChI=1S/C24H23N7/c1-30-8-10-31(11-9-30)23-15-26-14-22-18(23)13-21(27-22)24-19-12-17(2-3-20(19)28-29-24)16-4-6-25-7-5-16/h2-7,12-15,27H,8-11H2,1H3,(H,28,29)
InChIKeyPGQCMACWSQGHME-UHFFFAOYSA-N
XLogP3.92
TPSA76.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole (CID 137117082) is 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole is CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole?
The InChIKey is PGQCMACWSQGHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-30-8-10-31(11-9-30)23-15-26-14-22-18(23)13-21(27-22)24-19-12-17(2-3-20(19)28-29-24)16-4-6-25-7-5-16/h2-7,12-15,27H,8-11H2,1H3,(H,28,29).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole?
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole has a molecular weight of 409.50 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 137117082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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