N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide

C15H20N6O — CID 86301351

IUPACN-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide
SMILESC=CC(=O)Nc1c(C)c(NC2CCCNC2)nc2ccnn12
InChIInChI=1S/C15H20N6O/c1-3-13(22)20-15-10(2)14(18-11-5-4-7-16-9-11)19-12-6-8-17-21(12)15/h3,6,8,11,16H,1,4-5,7,9H2,2H3,(H,18,19)(H,20,22)
InChIKeyPGPASYJVLMYENH-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.33
Rot. Bonds4

About N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide

N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide (PubChem CID 86301351) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide
PubChem CID86301351
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide
SMILESC=CC(=O)Nc1c(C)c(NC2CCCNC2)nc2ccnn12
InChIInChI=1S/C15H20N6O/c1-3-13(22)20-15-10(2)14(18-11-5-4-7-16-9-11)19-12-6-8-17-21(12)15/h3,6,8,11,16H,1,4-5,7,9H2,2H3,(H,18,19)(H,20,22)
InChIKeyPGPASYJVLMYENH-UHFFFAOYSA-N
XLogP1.33
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide?
The IUPAC name of N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide (CID 86301351) is N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide.
What is the SMILES notation for N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide?
The canonical SMILES for N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide is C=CC(=O)Nc1c(C)c(NC2CCCNC2)nc2ccnn12.
What is the InChIKey of N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide?
The InChIKey is PGPASYJVLMYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-13(22)20-15-10(2)14(18-11-5-4-7-16-9-11)19-12-6-8-17-21(12)15/h3,6,8,11,16H,1,4-5,7,9H2,2H3,(H,18,19)(H,20,22).
What are the key properties of N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide?
N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide has a molecular weight of 300.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide is sourced from PubChem (CID 86301351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).