N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide

C27H28FN5O — CID 122188592

IUPACN-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCN(c5ccc(F)cc5)CC4)cc3)c2c1
InChIInChI=1S/C27H28FN5O/c1-19-11-12-33-25(17-19)26(20(2)30-33)27(34)29-18-21-3-7-23(8-4-21)31-13-15-32(16-14-31)24-9-5-22(28)6-10-24/h3-12,17H,13-16,18H2,1-2H3,(H,29,34)
InChIKeyYIUQAZFHIQWXJU-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.35
Rot. Bonds5

About N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide

N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 122188592) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID122188592
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC NameN-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCN(c5ccc(F)cc5)CC4)cc3)c2c1
InChIInChI=1S/C27H28FN5O/c1-19-11-12-33-25(17-19)26(20(2)30-33)27(34)29-18-21-3-7-23(8-4-21)31-13-15-32(16-14-31)24-9-5-22(28)6-10-24/h3-12,17H,13-16,18H2,1-2H3,(H,29,34)
InChIKeyYIUQAZFHIQWXJU-UHFFFAOYSA-N
XLogP4.35
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 122188592) is N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCN(c5ccc(F)cc5)CC4)cc3)c2c1.
What is the InChIKey of N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is YIUQAZFHIQWXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-19-11-12-33-25(17-19)26(20(2)30-33)27(34)29-18-21-3-7-23(8-4-21)31-13-15-32(16-14-31)24-9-5-22(28)6-10-24/h3-12,17H,13-16,18H2,1-2H3,(H,29,34).
What are the key properties of N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 122188592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).