1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine

C24H25N7O — CID 72715135

IUPAC1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine
SMILESC[C@H]1CN(c2cccc(-n3ncc4cnc(-c5cncc(C6COC6)c5)cc43)n2)CCN1
InChIInChI=1S/C24H25N7O/c1-16-13-30(6-5-26-16)23-3-2-4-24(29-23)31-22-8-21(27-11-19(22)12-28-31)18-7-17(9-25-10-18)20-14-32-15-20/h2-4,7-12,16,20,26H,5-6,13-15H2,1H3/t16-/m0/s1
InChIKeyAWEQRQAMCRCOJY-INIZCTEOSA-N
MW427.51 g/mol
LogP2.79
Rot. Bonds4

About 1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine

1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine (PubChem CID 72715135) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine
PubChem CID72715135
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine
SMILESC[C@H]1CN(c2cccc(-n3ncc4cnc(-c5cncc(C6COC6)c5)cc43)n2)CCN1
InChIInChI=1S/C24H25N7O/c1-16-13-30(6-5-26-16)23-3-2-4-24(29-23)31-22-8-21(27-11-19(22)12-28-31)18-7-17(9-25-10-18)20-14-32-15-20/h2-4,7-12,16,20,26H,5-6,13-15H2,1H3/t16-/m0/s1
InChIKeyAWEQRQAMCRCOJY-INIZCTEOSA-N
XLogP2.79
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine (CID 72715135) is 1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine is C[C@H]1CN(c2cccc(-n3ncc4cnc(-c5cncc(C6COC6)c5)cc43)n2)CCN1.
What is the InChIKey of 1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine?
The InChIKey is AWEQRQAMCRCOJY-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25N7O/c1-16-13-30(6-5-26-16)23-3-2-4-24(29-23)31-22-8-21(27-11-19(22)12-28-31)18-7-17(9-25-10-18)20-14-32-15-20/h2-4,7-12,16,20,26H,5-6,13-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine?
1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine has a molecular weight of 427.51 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-6-[5-(oxetan-3-yl)-3-pyridinyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 72715135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).