pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C18H21N5O — CID 3233034

IUPACpyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1ccncc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H21N5O/c24-16(15-3-9-19-10-4-15)22-11-1-5-18(13-22)6-12-23(14-18)17-20-7-2-8-21-17/h2-4,7-10H,1,5-6,11-14H2/t18-/m1/s1
InChIKeyWRJPBBODWZBWLT-GOSISDBHSA-N
MW323.40 g/mol
LogP2.00
Rot. Bonds2

About pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3233034) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3233034
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Namepyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1ccncc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H21N5O/c24-16(15-3-9-19-10-4-15)22-11-1-5-18(13-22)6-12-23(14-18)17-20-7-2-8-21-17/h2-4,7-10H,1,5-6,11-14H2/t18-/m1/s1
InChIKeyWRJPBBODWZBWLT-GOSISDBHSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3233034) is pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1ccncc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is WRJPBBODWZBWLT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N5O/c24-16(15-3-9-19-10-4-15)22-11-1-5-18(13-22)6-12-23(14-18)17-20-7-2-8-21-17/h2-4,7-10H,1,5-6,11-14H2/t18-/m1/s1.
What are the key properties of pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3233034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).