N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine

C17H23FN6O — CID 97405022

IUPACN-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine
SMILESCn1nc(CNC2CCOCC2)c2c1CN(c1ncc(F)cn1)CC2
InChIInChI=1S/C17H23FN6O/c1-23-16-11-24(17-20-8-12(18)9-21-17)5-2-14(16)15(22-23)10-19-13-3-6-25-7-4-13/h8-9,13,19H,2-7,10-11H2,1H3
InChIKeyVWHIATXRZQOZIK-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.18
Rot. Bonds4

About N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine

N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine (PubChem CID 97405022) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine
PubChem CID97405022
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC NameN-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine
SMILESCn1nc(CNC2CCOCC2)c2c1CN(c1ncc(F)cn1)CC2
InChIInChI=1S/C17H23FN6O/c1-23-16-11-24(17-20-8-12(18)9-21-17)5-2-14(16)15(22-23)10-19-13-3-6-25-7-4-13/h8-9,13,19H,2-7,10-11H2,1H3
InChIKeyVWHIATXRZQOZIK-UHFFFAOYSA-N
XLogP1.18
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine (CID 97405022) is N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine is Cn1nc(CNC2CCOCC2)c2c1CN(c1ncc(F)cn1)CC2.
What is the InChIKey of N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine?
The InChIKey is VWHIATXRZQOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-23-16-11-24(17-20-8-12(18)9-21-17)5-2-14(16)15(22-23)10-19-13-3-6-25-7-4-13/h8-9,13,19H,2-7,10-11H2,1H3.
What are the key properties of N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine?
N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine has a molecular weight of 346.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(5-fluoropyrimidin-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]oxan-4-amine is sourced from PubChem (CID 97405022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).