7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine

C19H24FN5 — CID 97451192

IUPAC7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCN(Cc1cccnc1)C1CC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C19H24FN5/c1-24(14-15-3-2-6-21-11-15)17-9-19(10-17)4-7-25(8-5-19)18-22-12-16(20)13-23-18/h2-3,6,11-13,17H,4-5,7-10,14H2,1H3
InChIKeyRERRGFIJWZTWBH-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.89
Rot. Bonds4

About 7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine

7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine (PubChem CID 97451192) has the molecular formula C19H24FN5 and a molecular weight of 341.43 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
PubChem CID97451192
Molecular FormulaC19H24FN5
Molecular Weight341.43 g/mol
Exact Mass341.20
IUPAC Name7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCN(Cc1cccnc1)C1CC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C19H24FN5/c1-24(14-15-3-2-6-21-11-15)17-9-19(10-17)4-7-25(8-5-19)18-22-12-16(20)13-23-18/h2-3,6,11-13,17H,4-5,7-10,14H2,1H3
InChIKeyRERRGFIJWZTWBH-UHFFFAOYSA-N
XLogP2.89
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine (CID 97451192) is 7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine is CN(Cc1cccnc1)C1CC2(CCN(c3ncc(F)cn3)CC2)C1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is RERRGFIJWZTWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5/c1-24(14-15-3-2-6-21-11-15)17-9-19(10-17)4-7-25(8-5-19)18-22-12-16(20)13-23-18/h2-3,6,11-13,17H,4-5,7-10,14H2,1H3.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 341.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 97451192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).