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

C18H23N5 — CID 97483918

IUPAC(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1
InChIInChI=1S/C18H23N5/c1-5-18(15-23(11-1)17-20-7-2-8-21-17)6-12-22(14-18)13-16-3-9-19-10-4-16/h2-4,7-10H,1,5-6,11-15H2/t18-/m0/s1
InChIKeyJCUBFRWWRNAFPE-SFHVURJKSA-N
MW309.42 g/mol
LogP2.36
Rot. Bonds3

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

(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 97483918) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is (5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID97483918
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1
InChIInChI=1S/C18H23N5/c1-5-18(15-23(11-1)17-20-7-2-8-21-17)6-12-22(14-18)13-16-3-9-19-10-4-16/h2-4,7-10H,1,5-6,11-15H2/t18-/m0/s1
InChIKeyJCUBFRWWRNAFPE-SFHVURJKSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 131648835
4-(pyridin-4-ylmethyl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134072499
2-(pyridin-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171697210
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560
2-(pyridin-2-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171673288
7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 118745159
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
2-[(4-methoxyphenyl)methyl]-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449653
(6S)-2-[(4-methoxyphenyl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494777
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756
(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494953

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (CID 97483918) is (5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is c1cnc(N2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1.
What is the InChIKey of (5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is JCUBFRWWRNAFPE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5/c1-5-18(15-23(11-1)17-20-7-2-8-21-17)6-12-22(14-18)13-16-3-9-19-10-4-16/h2-4,7-10H,1,5-6,11-15H2/t18-/m0/s1.
What are the key properties of (5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 309.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 97483918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).