3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine

C23H28N8 — CID 137112601

IUPAC3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
SMILESCN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)cc23)CC1
InChIInChI=1S/C23H28N8/c1-30-8-10-31(11-9-30)21-14-25-13-20-16(21)12-19(26-20)23-22-18(28-29-23)3-2-17(27-22)15-4-6-24-7-5-15/h2-3,12-15,24,26H,4-11H2,1H3,(H,28,29)
InChIKeyOISTYFSZJIAQKI-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.72
Rot. Bonds3

About 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine

3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137112601) has the molecular formula C23H28N8 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137112601
Molecular FormulaC23H28N8
Molecular Weight416.53 g/mol
Exact Mass416.24
IUPAC Name3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
SMILESCN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)cc23)CC1
InChIInChI=1S/C23H28N8/c1-30-8-10-31(11-9-30)21-14-25-13-20-16(21)12-19(26-20)23-22-18(28-29-23)3-2-17(27-22)15-4-6-24-7-5-15/h2-3,12-15,24,26H,4-11H2,1H3,(H,28,29)
InChIKeyOISTYFSZJIAQKI-UHFFFAOYSA-N
XLogP2.72
TPSA88.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine with MolForge

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Related Compounds

3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114900
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-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137112030
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-4-yl-1H-indazole
CID 137117082
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137112688
3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137112491
N-[3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137365067
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137039011
5-piperidin-4-yl-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114690
3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137039627
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-indazole
CID 137114193
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137039162

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine (CID 137112601) is 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine is CN1CCN(c2cncc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)cc23)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is OISTYFSZJIAQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8/c1-30-8-10-31(11-9-30)21-14-25-13-20-16(21)12-19(26-20)23-22-18(28-29-23)3-2-17(27-22)15-4-6-24-7-5-15/h2-3,12-15,24,26H,4-11H2,1H3,(H,28,29).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 416.53 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137112601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).