ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one

C16H25N5O — CID 162382408

IUPACethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCCC1.CC.Cc1[nH]nc2ccnc(N)c12
InChIInChI=1S/C7H8N4.C7H11NO.C2H6/c1-4-6-5(11-10-4)2-3-9-7(6)8;1-2-7(9)8-5-3-4-6-8;1-2/h2-3H,1H3,(H2,8,9)(H,10,11);2H,1,3-6H2;1-2H3
InChIKeyIUHVAEPTKIQJBA-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.67
Rot. Bonds1

About ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one

ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one (PubChem CID 162382408) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Nameethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one
PubChem CID162382408
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Nameethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCCC1.CC.Cc1[nH]nc2ccnc(N)c12
InChIInChI=1S/C7H8N4.C7H11NO.C2H6/c1-4-6-5(11-10-4)2-3-9-7(6)8;1-2-7(9)8-5-3-4-6-8;1-2/h2-3H,1H3,(H2,8,9)(H,10,11);2H,1,3-6H2;1-2H3
InChIKeyIUHVAEPTKIQJBA-UHFFFAOYSA-N
XLogP2.67
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one?
The IUPAC name of ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one (CID 162382408) is ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one.
What is the SMILES notation for ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one?
The canonical SMILES for ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one is C=CC(=O)N1CCCC1.CC.Cc1[nH]nc2ccnc(N)c12.
What is the InChIKey of ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one?
The InChIKey is IUHVAEPTKIQJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.C7H11NO.C2H6/c1-4-6-5(11-10-4)2-3-9-7(6)8;1-2-7(9)8-5-3-4-6-8;1-2/h2-3H,1H3,(H2,8,9)(H,10,11);2H,1,3-6H2;1-2H3.
What are the key properties of ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one?
ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one has a molecular weight of 303.41 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;1-pyrrolidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 162382408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).