N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide

C18H22N4O2 — CID 118743938

IUPACN-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCC1OCCc2cn(CC3CC3)nc21
InChIInChI=1S/C18H22N4O2/c23-17(9-15-3-1-2-7-19-15)20-10-16-18-14(6-8-24-16)12-22(21-18)11-13-4-5-13/h1-3,7,12-13,16H,4-6,8-11H2,(H,20,23)
InChIKeyZOQWGTIAXTXSDT-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.66
Rot. Bonds6

About N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide

N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide (PubChem CID 118743938) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide
PubChem CID118743938
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCC1OCCc2cn(CC3CC3)nc21
InChIInChI=1S/C18H22N4O2/c23-17(9-15-3-1-2-7-19-15)20-10-16-18-14(6-8-24-16)12-22(21-18)11-13-4-5-13/h1-3,7,12-13,16H,4-6,8-11H2,(H,20,23)
InChIKeyZOQWGTIAXTXSDT-UHFFFAOYSA-N
XLogP1.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide (CID 118743938) is N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)NCC1OCCc2cn(CC3CC3)nc21.
What is the InChIKey of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide?
The InChIKey is ZOQWGTIAXTXSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(9-15-3-1-2-7-19-15)20-10-16-18-14(6-8-24-16)12-22(21-18)11-13-4-5-13/h1-3,7,12-13,16H,4-6,8-11H2,(H,20,23).
What are the key properties of N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide?
N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide has a molecular weight of 326.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 118743938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).