9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H21N5O3 — CID 99990684

IUPAC9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)n3cccc(O)c3n1)C2
InChIInChI=1S/C18H21N5O3/c1-12(24)15-9-14-11-21(5-3-7-23(14)20-15)10-13-8-17(26)22-6-2-4-16(25)18(22)19-13/h2,4,6,8-9,12,24-25H,3,5,7,10-11H2,1H3/t12-/m1/s1
InChIKeySOEONZGBOOGKBZ-GFCCVEGCSA-N
MW355.40 g/mol
LogP1.06
Rot. Bonds3

About 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 99990684) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID99990684
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)n3cccc(O)c3n1)C2
InChIInChI=1S/C18H21N5O3/c1-12(24)15-9-14-11-21(5-3-7-23(14)20-15)10-13-8-17(26)22-6-2-4-16(25)18(22)19-13/h2,4,6,8-9,12,24-25H,3,5,7,10-11H2,1H3/t12-/m1/s1
InChIKeySOEONZGBOOGKBZ-GFCCVEGCSA-N
XLogP1.06
TPSA95.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
(1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99975863
4-[[2-(1,2-dihydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]-2-methyl-1H-pyrimidin-6-one
CID 136665005
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 91775659
9-hydroxy-2-[[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97143956
1-[5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 91760668
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115966901
9-hydroxy-2-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 124756634
2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 71878633
2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 119925708
(1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99974341

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 99990684) is 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@@H](O)c1cc2n(n1)CCCN(Cc1cc(=O)n3cccc(O)c3n1)C2.
What is the InChIKey of 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SOEONZGBOOGKBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12(24)15-9-14-11-21(5-3-7-23(14)20-15)10-13-8-17(26)22-6-2-4-16(25)18(22)19-13/h2,4,6,8-9,12,24-25H,3,5,7,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 355.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 99990684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).