cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

C18H25N5O — CID 91772489

IUPACcyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCCc1nc(C)cc(N2CCCn3nc(C(O)C4CC4)cc3C2)n1
InChIInChI=1S/C18H25N5O/c1-3-16-19-12(2)9-17(20-16)22-7-4-8-23-14(11-22)10-15(21-23)18(24)13-5-6-13/h9-10,13,18,24H,3-8,11H2,1-2H3
InChIKeyLETYEOUMXWFFGL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.40
Rot. Bonds4

About cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (PubChem CID 91772489) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
PubChem CID91772489
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Namecyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCCc1nc(C)cc(N2CCCn3nc(C(O)C4CC4)cc3C2)n1
InChIInChI=1S/C18H25N5O/c1-3-16-19-12(2)9-17(20-16)22-7-4-8-23-14(11-22)10-15(21-23)18(24)13-5-6-13/h9-10,13,18,24H,3-8,11H2,1-2H3
InChIKeyLETYEOUMXWFFGL-UHFFFAOYSA-N
XLogP2.40
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-[5-(4-cyclobutyl-6-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-cyclopropylmethanol
CID 100014465
(S)-[5-(2-methyl-5-propylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 100154493
1-[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 91779871
1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 91792252
(1R)-1-[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 99976629
(1S)-1-[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 99976632
(1R)-1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 100235385
(1S)-1-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 100235397
cyclobutyl[5-(5-isopropyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91797510
12-Propan-2-yl-1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-9-ol
CID 152792589
2-(dimethylamino)-1-{5-[(2-ethylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}ethanol
CID 90647821
cyclopropyl{5-[(2-isopropylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methanol
CID 90648543

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The IUPAC name of cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (CID 91772489) is cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.
What is the SMILES notation for cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The canonical SMILES for cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is CCc1nc(C)cc(N2CCCn3nc(C(O)C4CC4)cc3C2)n1.
What is the InChIKey of cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The InChIKey is LETYEOUMXWFFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-16-19-12(2)9-17(20-16)22-7-4-8-23-14(11-22)10-15(21-23)18(24)13-5-6-13/h9-10,13,18,24H,3-8,11H2,1-2H3.
What are the key properties of cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol has a molecular weight of 327.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(2-ethyl-6-methylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is sourced from PubChem (CID 91772489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).