N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide

C22H19N7O2 — CID 70925379

IUPACN-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]c(NC(C)=O)c(-c5ccccn5)c4n3)ccc21
InChIInChI=1S/C22H19N7O2/c1-3-28-18-8-7-14(10-15(18)12-24-28)17-11-19(31)29-22(26-17)20(16-6-4-5-9-23-16)21(27-29)25-13(2)30/h4-12,27H,3H2,1-2H3,(H,25,30)
InChIKeyIPGARWLIPNMMGX-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.08
Rot. Bonds4

About N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide

N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 70925379) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID70925379
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC NameN-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]c(NC(C)=O)c(-c5ccccn5)c4n3)ccc21
InChIInChI=1S/C22H19N7O2/c1-3-28-18-8-7-14(10-15(18)12-24-28)17-11-19(31)29-22(26-17)20(16-6-4-5-9-23-16)21(27-29)25-13(2)30/h4-12,27H,3H2,1-2H3,(H,25,30)
InChIKeyIPGARWLIPNMMGX-UHFFFAOYSA-N
XLogP3.08
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 70925379) is N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide is CCn1ncc2cc(-c3cc(=O)n4[nH]c(NC(C)=O)c(-c5ccccn5)c4n3)ccc21.
What is the InChIKey of N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is IPGARWLIPNMMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-3-28-18-8-7-14(10-15(18)12-24-28)17-11-19(31)29-22(26-17)20(16-6-4-5-9-23-16)21(27-29)25-13(2)30/h4-12,27H,3H2,1-2H3,(H,25,30).
What are the key properties of N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 413.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethylindazol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 70925379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).