2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one

C23H29N7O2 — CID 170286923

IUPAC2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one
SMILESCC(c1cccnc1)N1CCN(Cc2ccn3ncc(N4CCC(=O)NC4O)c3c2)CC1
InChIInChI=1S/C23H29N7O2/c1-17(19-3-2-6-24-14-19)28-11-9-27(10-12-28)16-18-4-8-30-20(13-18)21(15-25-30)29-7-5-22(31)26-23(29)32/h2-4,6,8,13-15,17,23,32H,5,7,9-12,16H2,1H3,(H,26,31)
InChIKeyMXKBJERLEMZRKG-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.21
Rot. Bonds5

About 2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one

2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one (PubChem CID 170286923) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one
PubChem CID170286923
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one
SMILESCC(c1cccnc1)N1CCN(Cc2ccn3ncc(N4CCC(=O)NC4O)c3c2)CC1
InChIInChI=1S/C23H29N7O2/c1-17(19-3-2-6-24-14-19)28-11-9-27(10-12-28)16-18-4-8-30-20(13-18)21(15-25-30)29-7-5-22(31)26-23(29)32/h2-4,6,8,13-15,17,23,32H,5,7,9-12,16H2,1H3,(H,26,31)
InChIKeyMXKBJERLEMZRKG-UHFFFAOYSA-N
XLogP1.21
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one?
The IUPAC name of 2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one (CID 170286923) is 2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one.
What is the SMILES notation for 2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one?
The canonical SMILES for 2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one is CC(c1cccnc1)N1CCN(Cc2ccn3ncc(N4CCC(=O)NC4O)c3c2)CC1.
What is the InChIKey of 2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one?
The InChIKey is MXKBJERLEMZRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-17(19-3-2-6-24-14-19)28-11-9-27(10-12-28)16-18-4-8-30-20(13-18)21(15-25-30)29-7-5-22(31)26-23(29)32/h2-4,6,8,13-15,17,23,32H,5,7,9-12,16H2,1H3,(H,26,31).
What are the key properties of 2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one?
2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one has a molecular weight of 435.53 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[5-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinan-4-one is sourced from PubChem (CID 170286923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).