(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane

C18H23N5 — CID 97481962

IUPAC(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC[C@@]3(CCCN3Cc3cccnc3)C2)nc1
InChIInChI=1S/C18H23N5/c1-5-16(13-19-8-1)14-23-12-3-7-18(23)6-2-11-22(15-18)17-20-9-4-10-21-17/h1,4-5,8-10,13H,2-3,6-7,11-12,14-15H2/t18-/m1/s1
InChIKeyKBFZZBMOGMNLIJ-GOSISDBHSA-N
MW309.42 g/mol
LogP2.51
Rot. Bonds3

About (5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane

(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane (PubChem CID 97481962) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is (5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
PubChem CID97481962
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC[C@@]3(CCCN3Cc3cccnc3)C2)nc1
InChIInChI=1S/C18H23N5/c1-5-16(13-19-8-1)14-23-12-3-7-18(23)6-2-11-22(15-18)17-20-9-4-10-21-17/h1,4-5,8-10,13H,2-3,6-7,11-12,14-15H2/t18-/m1/s1
InChIKeyKBFZZBMOGMNLIJ-GOSISDBHSA-N
XLogP2.51
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
pyrazin-2-yl-[(5S)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97481969
2-(pyridin-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171697210
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 131660553
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 124803616
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 110123600
8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372599
8-pyridin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131646115
(5S)-9-(5-fluoropyrimidin-2-yl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485087
1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
CID 134079041
(6S)-8-pyrazin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372434

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane (CID 97481962) is (5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane is c1cnc(N2CCC[C@@]3(CCCN3Cc3cccnc3)C2)nc1.
What is the InChIKey of (5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane?
The InChIKey is KBFZZBMOGMNLIJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N5/c1-5-16(13-19-8-1)14-23-12-3-7-18(23)6-2-11-22(15-18)17-20-9-4-10-21-17/h1,4-5,8-10,13H,2-3,6-7,11-12,14-15H2/t18-/m1/s1.
What are the key properties of (5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane?
(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane has a molecular weight of 309.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97481962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).