3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C29H32N8 — CID 137113296

IUPAC3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCC7)c6)cc45)cc23)CC1
InChIInChI=1S/C29H32N8/c1-35-9-11-37(12-10-35)28-6-4-5-24-22(28)14-26(32-24)29-23-15-25(31-18-27(23)33-34-29)21-13-20(16-30-17-21)19-36-7-2-3-8-36/h4-6,13-18,32H,2-3,7-12,19H2,1H3,(H,33,34)
InChIKeyXSLPAYQISDNHKH-UHFFFAOYSA-N
MW492.63 g/mol
LogP4.52
Rot. Bonds5

About 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137113296) has the molecular formula C29H32N8 and a molecular weight of 492.63 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID137113296
Molecular FormulaC29H32N8
Molecular Weight492.63 g/mol
Exact Mass492.27
IUPAC Name3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCC7)c6)cc45)cc23)CC1
InChIInChI=1S/C29H32N8/c1-35-9-11-37(12-10-35)28-6-4-5-24-22(28)14-26(32-24)29-23-15-25(31-18-27(23)33-34-29)21-13-20(16-30-17-21)19-36-7-2-3-8-36/h4-6,13-18,32H,2-3,7-12,19H2,1H3,(H,33,34)
InChIKeyXSLPAYQISDNHKH-UHFFFAOYSA-N
XLogP4.52
TPSA79.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine with MolForge

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Related Compounds

3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137311576
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137102866
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115804
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 138603218
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137112904
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137364650
N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137102929
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137033313
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137284181
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033375
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 137112914
3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 136509557

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 137113296) is 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCC7)c6)cc45)cc23)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is XSLPAYQISDNHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8/c1-35-9-11-37(12-10-35)28-6-4-5-24-22(28)14-26(32-24)29-23-15-25(31-18-27(23)33-34-29)21-13-20(16-30-17-21)19-36-7-2-3-8-36/h4-6,13-18,32H,2-3,7-12,19H2,1H3,(H,33,34).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 492.63 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137113296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).