N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide

C19H20F2N6O — CID 163301796

IUPACN-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(c2cc(-c3cnn(C)c3)cn3nccc23)CC(F)(F)C1
InChIInChI=1S/C19H20F2N6O/c1-3-18(28)24-15-7-19(20,21)12-26(11-15)17-6-13(14-8-23-25(2)9-14)10-27-16(17)4-5-22-27/h3-6,8-10,15H,1,7,11-12H2,2H3,(H,24,28)
InChIKeyHQLYZNBRIOBBSJ-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.25
Rot. Bonds4

About N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide

N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide (PubChem CID 163301796) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide
PubChem CID163301796
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC NameN-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(c2cc(-c3cnn(C)c3)cn3nccc23)CC(F)(F)C1
InChIInChI=1S/C19H20F2N6O/c1-3-18(28)24-15-7-19(20,21)12-26(11-15)17-6-13(14-8-23-25(2)9-14)10-27-16(17)4-5-22-27/h3-6,8-10,15H,1,7,11-12H2,2H3,(H,24,28)
InChIKeyHQLYZNBRIOBBSJ-UHFFFAOYSA-N
XLogP2.25
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide?
The IUPAC name of N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide (CID 163301796) is N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide is C=CC(=O)NC1CN(c2cc(-c3cnn(C)c3)cn3nccc23)CC(F)(F)C1.
What is the InChIKey of N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide?
The InChIKey is HQLYZNBRIOBBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-3-18(28)24-15-7-19(20,21)12-26(11-15)17-6-13(14-8-23-25(2)9-14)10-27-16(17)4-5-22-27/h3-6,8-10,15H,1,7,11-12H2,2H3,(H,24,28).
What are the key properties of N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide?
N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide has a molecular weight of 386.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-difluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 163301796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).