(5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile

C19H25N7O — CID 42571209

IUPAC(5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
SMILESCC1CCC2(CC1)N=C(N1CCN(c3ncccn3)CC1)NC(=O)[C@H]2C#N
InChIInChI=1S/C19H25N7O/c1-14-3-5-19(6-4-14)15(13-20)16(27)23-18(24-19)26-11-9-25(10-12-26)17-21-7-2-8-22-17/h2,7-8,14-15H,3-6,9-12H2,1H3,(H,23,24,27)/t14?,15-,19?/m1/s1
InChIKeyDSGWAPWAXSGPAE-XAUUPUKJSA-N
MW367.46 g/mol
LogP1.17
Rot. Bonds1

About (5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile

(5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile (PubChem CID 42571209) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is (5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.

Molecular Properties

Compound Name(5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
PubChem CID42571209
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name(5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
SMILESCC1CCC2(CC1)N=C(N1CCN(c3ncccn3)CC1)NC(=O)[C@H]2C#N
InChIInChI=1S/C19H25N7O/c1-14-3-5-19(6-4-14)15(13-20)16(27)23-18(24-19)26-11-9-25(10-12-26)17-21-7-2-8-22-17/h2,7-8,14-15H,3-6,9-12H2,1H3,(H,23,24,27)/t14?,15-,19?/m1/s1
InChIKeyDSGWAPWAXSGPAE-XAUUPUKJSA-N
XLogP1.17
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
CID 17229261
(5R)-9-methyl-4-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
CID 29102806
(5R)-4-oxo-2-(4-phenylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
CID 2039929
(10S)-7-[4-(furan-2-carbonyl)piperazin-1-yl]-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
CID 41473868
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
(10S)-7-(2,3-dihydroindol-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
CID 41026737
N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 51103793
(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469612
ethyl (4R,5R)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41111274
4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131640509
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985
ethyl (4R,5R)-4-(4-nitrophenyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41111304

Frequently Asked Questions

What is the IUPAC name of (5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The IUPAC name of (5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile (CID 42571209) is (5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.
What is the SMILES notation for (5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The canonical SMILES for (5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile is CC1CCC2(CC1)N=C(N1CCN(c3ncccn3)CC1)NC(=O)[C@H]2C#N.
What is the InChIKey of (5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The InChIKey is DSGWAPWAXSGPAE-XAUUPUKJSA-N. The full InChI is InChI=1S/C19H25N7O/c1-14-3-5-19(6-4-14)15(13-20)16(27)23-18(24-19)26-11-9-25(10-12-26)17-21-7-2-8-22-17/h2,7-8,14-15H,3-6,9-12H2,1H3,(H,23,24,27)/t14?,15-,19?/m1/s1.
What are the key properties of (5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
(5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile has a molecular weight of 367.46 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-methyl-4-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile is sourced from PubChem (CID 42571209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).