N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide

C18H21F2N5O — CID 175605103

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)C(F)(F)C1=CC=C(C2=CCCNC2)NC1
InChIInChI=1S/C18H21F2N5O/c19-18(20,17(26)23-16-8-15(24-25-16)11-3-4-11)13-5-6-14(22-10-13)12-2-1-7-21-9-12/h2,5-6,8,11,21-22H,1,3-4,7,9-10H2,(H2,23,24,25,26)
InChIKeyOZUMOORPDVTVEG-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.19
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide (PubChem CID 175605103) has the molecular formula C18H21F2N5O and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide
PubChem CID175605103
Molecular FormulaC18H21F2N5O
Molecular Weight361.40 g/mol
Exact Mass361.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)C(F)(F)C1=CC=C(C2=CCCNC2)NC1
InChIInChI=1S/C18H21F2N5O/c19-18(20,17(26)23-16-8-15(24-25-16)11-3-4-11)13-5-6-14(22-10-13)12-2-1-7-21-9-12/h2,5-6,8,11,21-22H,1,3-4,7,9-10H2,(H2,23,24,25,26)
InChIKeyOZUMOORPDVTVEG-UHFFFAOYSA-N
XLogP2.19
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide (CID 175605103) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide is O=C(Nc1cc(C2CC2)[nH]n1)C(F)(F)C1=CC=C(C2=CCCNC2)NC1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide?
The InChIKey is OZUMOORPDVTVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O/c19-18(20,17(26)23-16-8-15(24-25-16)11-3-4-11)13-5-6-14(22-10-13)12-2-1-7-21-9-12/h2,5-6,8,11,21-22H,1,3-4,7,9-10H2,(H2,23,24,25,26).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2,2-difluoro-2-[6-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-dihydropyridin-3-yl]acetamide is sourced from PubChem (CID 175605103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).