6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine

C25H35N7O2 — CID 142464133

IUPAC6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCN1CCN(C2CCN(c3cc(OC4CCOCC4)c4c(-c5cn[nH]c5)cnn4c3)CC2)CC1
InChIInChI=1S/C25H35N7O2/c1-29-8-10-31(11-9-29)20-2-6-30(7-3-20)21-14-24(34-22-4-12-33-13-5-22)25-23(17-28-32(25)18-21)19-15-26-27-16-19/h14-18,20,22H,2-13H2,1H3,(H,26,27)
InChIKeyTWTPMMBWKGHJIF-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.50
Rot. Bonds5

About 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine

6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 142464133) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID142464133
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Name6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCN1CCN(C2CCN(c3cc(OC4CCOCC4)c4c(-c5cn[nH]c5)cnn4c3)CC2)CC1
InChIInChI=1S/C25H35N7O2/c1-29-8-10-31(11-9-29)20-2-6-30(7-3-20)21-14-24(34-22-4-12-33-13-5-22)25-23(17-28-32(25)18-21)19-15-26-27-16-19/h14-18,20,22H,2-13H2,1H3,(H,26,27)
InChIKeyTWTPMMBWKGHJIF-UHFFFAOYSA-N
XLogP2.50
TPSA74.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 142464133) is 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine is CN1CCN(C2CCN(c3cc(OC4CCOCC4)c4c(-c5cn[nH]c5)cnn4c3)CC2)CC1.
What is the InChIKey of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is TWTPMMBWKGHJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-29-8-10-31(11-9-29)20-2-6-30(7-3-20)21-14-24(34-22-4-12-33-13-5-22)25-23(17-28-32(25)18-21)19-15-26-27-16-19/h14-18,20,22H,2-13H2,1H3,(H,26,27).
What are the key properties of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine?
6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 465.60 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 142464133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).