5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C22H24N8 — CID 162648916

IUPAC5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCN1CCN(c2cc(-c3n[nH]c4cnc(-c5cnn6c5CCC6)cc34)ccn2)CC1
InChIInChI=1S/C22H24N8/c1-28-7-9-29(10-8-28)21-11-15(4-5-23-21)22-16-12-18(24-14-19(16)26-27-22)17-13-25-30-6-2-3-20(17)30/h4-5,11-14H,2-3,6-10H2,1H3,(H,26,27)
InChIKeyLCPOUUVUMNHWDP-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.58
Rot. Bonds3

About 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 162648916) has the molecular formula C22H24N8 and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID162648916
Molecular FormulaC22H24N8
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCN1CCN(c2cc(-c3n[nH]c4cnc(-c5cnn6c5CCC6)cc34)ccn2)CC1
InChIInChI=1S/C22H24N8/c1-28-7-9-29(10-8-28)21-11-15(4-5-23-21)22-16-12-18(24-14-19(16)26-27-22)17-13-25-30-6-2-3-20(17)30/h4-5,11-14H,2-3,6-10H2,1H3,(H,26,27)
InChIKeyLCPOUUVUMNHWDP-UHFFFAOYSA-N
XLogP2.58
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 162648916) is 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is CN1CCN(c2cc(-c3n[nH]c4cnc(-c5cnn6c5CCC6)cc34)ccn2)CC1.
What is the InChIKey of 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is LCPOUUVUMNHWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8/c1-28-7-9-29(10-8-28)21-11-15(4-5-23-21)22-16-12-18(24-14-19(16)26-27-22)17-13-25-30-6-2-3-20(17)30/h4-5,11-14H,2-3,6-10H2,1H3,(H,26,27).
What are the key properties of 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 400.49 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 162648916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).