N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide

C21H26N8O2 — CID 167162922

IUPACN-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide
SMILESCCc1c(C)nn2c(N)c(C#N)c(NCCc3cccn(CCCNC=O)c3=O)nc12
InChIInChI=1S/C21H26N8O2/c1-3-16-14(2)27-29-18(23)17(12-22)19(26-20(16)29)25-9-7-15-6-4-10-28(21(15)31)11-5-8-24-13-30/h4,6,10,13H,3,5,7-9,11,23H2,1-2H3,(H,24,30)(H,25,26)
InChIKeySIIWQNLISWAXJX-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.01
Rot. Bonds10

About N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide

N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide (PubChem CID 167162922) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide.

Molecular Properties

Compound NameN-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide
PubChem CID167162922
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC NameN-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide
SMILESCCc1c(C)nn2c(N)c(C#N)c(NCCc3cccn(CCCNC=O)c3=O)nc12
InChIInChI=1S/C21H26N8O2/c1-3-16-14(2)27-29-18(23)17(12-22)19(26-20(16)29)25-9-7-15-6-4-10-28(21(15)31)11-5-8-24-13-30/h4,6,10,13H,3,5,7-9,11,23H2,1-2H3,(H,24,30)(H,25,26)
InChIKeySIIWQNLISWAXJX-UHFFFAOYSA-N
XLogP1.01
TPSA143.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide?
The IUPAC name of N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide (CID 167162922) is N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide.
What is the SMILES notation for N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide?
The canonical SMILES for N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide is CCc1c(C)nn2c(N)c(C#N)c(NCCc3cccn(CCCNC=O)c3=O)nc12.
What is the InChIKey of N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide?
The InChIKey is SIIWQNLISWAXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2/c1-3-16-14(2)27-29-18(23)17(12-22)19(26-20(16)29)25-9-7-15-6-4-10-28(21(15)31)11-5-8-24-13-30/h4,6,10,13H,3,5,7-9,11,23H2,1-2H3,(H,24,30)(H,25,26).
What are the key properties of N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide?
N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide has a molecular weight of 422.49 g/mol, XLogP of 1.01, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide is sourced from PubChem (CID 167162922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).