N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide

C17H23N7O — CID 135361934

IUPACN-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1CCCN(c2cncc(Nc3cnn(C)c3)n2)[C@@H]1C
InChIInChI=1S/C17H23N7O/c1-4-17(25)21-14-6-5-7-24(12(14)2)16-10-18-9-15(22-16)20-13-8-19-23(3)11-13/h4,8-12,14H,1,5-7H2,2-3H3,(H,20,22)(H,21,25)/t12-,14-/m1/s1
InChIKeyDPPCHEHYUOGYLA-TZMCWYRMSA-N
MW341.42 g/mol
LogP1.61
Rot. Bonds5

About N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide

N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide (PubChem CID 135361934) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide
PubChem CID135361934
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H]1CCCN(c2cncc(Nc3cnn(C)c3)n2)[C@@H]1C
InChIInChI=1S/C17H23N7O/c1-4-17(25)21-14-6-5-7-24(12(14)2)16-10-18-9-15(22-16)20-13-8-19-23(3)11-13/h4,8-12,14H,1,5-7H2,2-3H3,(H,20,22)(H,21,25)/t12-,14-/m1/s1
InChIKeyDPPCHEHYUOGYLA-TZMCWYRMSA-N
XLogP1.61
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide?
The IUPAC name of N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide (CID 135361934) is N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide is C=CC(=O)N[C@@H]1CCCN(c2cncc(Nc3cnn(C)c3)n2)[C@@H]1C.
What is the InChIKey of N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide?
The InChIKey is DPPCHEHYUOGYLA-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H23N7O/c1-4-17(25)21-14-6-5-7-24(12(14)2)16-10-18-9-15(22-16)20-13-8-19-23(3)11-13/h4,8-12,14H,1,5-7H2,2-3H3,(H,20,22)(H,21,25)/t12-,14-/m1/s1.
What are the key properties of N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide?
N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide has a molecular weight of 341.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-methyl-1-[6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 135361934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).