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

C18H21N5O — CID 97371992

IUPAC(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccccn1)C2
InChIInChI=1S/C18H21N5O/c24-17-18(6-9-23(17)16-10-19-14-20-11-16)5-3-8-22(13-18)12-15-4-1-2-7-21-15/h1-2,4,7,10-11,14H,3,5-6,8-9,12-13H2/t18-/m0/s1
InChIKeyHKXZMQVZWSUZHU-SFHVURJKSA-N
MW323.40 g/mol
LogP1.89
Rot. Bonds3

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

(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97371992) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97371992
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccccn1)C2
InChIInChI=1S/C18H21N5O/c24-17-18(6-9-23(17)16-10-19-14-20-11-16)5-3-8-22(13-18)12-15-4-1-2-7-21-15/h1-2,4,7,10-11,14H,3,5-6,8-9,12-13H2/t18-/m0/s1
InChIKeyHKXZMQVZWSUZHU-SFHVURJKSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118746385
2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075103
(5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97395772
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688476
(5S)-7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451451
9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118741017
2-pyridin-3-yl-7-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 134078370
(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490258
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490514

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one (CID 97371992) is (5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccccn1)C2.
What is the InChIKey of (5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is HKXZMQVZWSUZHU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N5O/c24-17-18(6-9-23(17)16-10-19-14-20-11-16)5-3-8-22(13-18)12-15-4-1-2-7-21-15/h1-2,4,7,10-11,14H,3,5-6,8-9,12-13H2/t18-/m0/s1.
What are the key properties of (5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one?
(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 323.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97371992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).