7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole

C17H21N3O2 — CID 118744325

IUPAC7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
SMILESc1ccc(Cn2cc3c(n2)C(COCC2CC2)OCC3)nc1
InChIInChI=1S/C17H21N3O2/c1-2-7-18-15(3-1)10-20-9-14-6-8-22-16(17(14)19-20)12-21-11-13-4-5-13/h1-3,7,9,13,16H,4-6,8,10-12H2
InChIKeyPJGMIPSBGZFWQW-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.37
Rot. Bonds6

About 7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole

7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole (PubChem CID 118744325) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole.

Molecular Properties

Compound Name7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
PubChem CID118744325
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
SMILESc1ccc(Cn2cc3c(n2)C(COCC2CC2)OCC3)nc1
InChIInChI=1S/C17H21N3O2/c1-2-7-18-15(3-1)10-20-9-14-6-8-22-16(17(14)19-20)12-21-11-13-4-5-13/h1-3,7,9,13,16H,4-6,8,10-12H2
InChIKeyPJGMIPSBGZFWQW-UHFFFAOYSA-N
XLogP2.37
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[({1-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}oxy)methyl]pyridine
CID 70711912
(3aR,5R,7aR)-1-[(1-methylpyrazol-4-yl)methyl]-5-(pyridin-3-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97379171
(3S,5S)-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419864
(3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97419866
(3aS,5S,7aS)-5-(pyridin-4-ylmethoxymethyl)-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460659
(3aS,5R,7aS)-5-(pyridin-2-ylmethoxymethyl)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461275
3-(methoxymethyl)-1-propan-2-yl-6-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97519988
1-(oxan-4-yl)-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]methanamine
CID 118739123
4-(ethoxymethyl)-1-methyl-6-(2-phenylmethoxyethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118739163
5-(2-Methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 118739227
7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739518
7-(cyclopropylmethoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739628

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
The IUPAC name of 7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole (CID 118744325) is 7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole.
What is the SMILES notation for 7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
The canonical SMILES for 7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole is c1ccc(Cn2cc3c(n2)C(COCC2CC2)OCC3)nc1.
What is the InChIKey of 7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
The InChIKey is PJGMIPSBGZFWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-7-18-15(3-1)10-20-9-14-6-8-22-16(17(14)19-20)12-21-11-13-4-5-13/h1-3,7,9,13,16H,4-6,8,10-12H2.
What are the key properties of 7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole?
7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole has a molecular weight of 299.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethyl)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole is sourced from PubChem (CID 118744325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).