7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

C16H20FN5O — CID 118740755

IUPAC7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCn1ncc2c1C(COCC1CC1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C16H20FN5O/c1-21-15-12(4-20-21)7-22(16-18-5-14(17)6-19-16)8-13(15)10-23-9-11-2-3-11/h4-6,11,13H,2-3,7-10H2,1H3
InChIKeyGUNAEXPAXIFHBV-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.88
Rot. Bonds5

About 7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine

7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 118740755) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID118740755
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCn1ncc2c1C(COCC1CC1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C16H20FN5O/c1-21-15-12(4-20-21)7-22(16-18-5-14(17)6-19-16)8-13(15)10-23-9-11-2-3-11/h4-6,11,13H,2-3,7-10H2,1H3
InChIKeyGUNAEXPAXIFHBV-UHFFFAOYSA-N
XLogP1.88
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 118740755) is 7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is Cn1ncc2c1C(COCC1CC1)CN(c1ncc(F)cn1)C2.
What is the InChIKey of 7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is GUNAEXPAXIFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-21-15-12(4-20-21)7-22(16-18-5-14(17)6-19-16)8-13(15)10-23-9-11-2-3-11/h4-6,11,13H,2-3,7-10H2,1H3.
What are the key properties of 7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 317.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethyl)-5-(5-fluoropyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 118740755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).