[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol

C19H21ClN4O — CID 11078813

IUPAC[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol
SMILESOCc1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C19H21ClN4O/c20-17-3-5-18(6-4-17)23-10-8-22(9-11-23)13-15-2-1-7-24-19(15)16(14-25)12-21-24/h1-7,12,25H,8-11,13-14H2
InChIKeyBLLNREQHFDCHGW-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.80
Rot. Bonds4

About [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol

[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol (PubChem CID 11078813) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol
PubChem CID11078813
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol
SMILESOCc1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12
InChIInChI=1S/C19H21ClN4O/c20-17-3-5-18(6-4-17)23-10-8-22(9-11-23)13-15-2-1-7-24-19(15)16(14-25)12-21-24/h1-7,12,25H,8-11,13-14H2
InChIKeyBLLNREQHFDCHGW-UHFFFAOYSA-N
XLogP2.80
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?
The IUPAC name of [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol (CID 11078813) is [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol.
What is the SMILES notation for [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?
The canonical SMILES for [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol is OCc1cnn2cccc(CN3CCN(c4ccc(Cl)cc4)CC3)c12.
What is the InChIKey of [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?
The InChIKey is BLLNREQHFDCHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-17-3-5-18(6-4-17)23-10-8-22(9-11-23)13-15-2-1-7-24-19(15)16(14-25)12-21-24/h1-7,12,25H,8-11,13-14H2.
What are the key properties of [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?
[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol has a molecular weight of 356.86 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol is sourced from PubChem (CID 11078813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).