(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone

C19H23N5O — CID 146428444

IUPAC(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCC1(C)CCNc2c(C(=O)N3CC4CC4(c4ccncc4)C3)cnn21
InChIInChI=1S/C19H23N5O/c1-18(2)5-8-21-16-15(10-22-24(16)18)17(25)23-11-14-9-19(14,12-23)13-3-6-20-7-4-13/h3-4,6-7,10,14,21H,5,8-9,11-12H2,1-2H3
InChIKeyYAHQKGQYSFNQAE-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.24
Rot. Bonds2

About (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone

(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone (PubChem CID 146428444) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone.

Molecular Properties

Compound Name(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
PubChem CID146428444
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCC1(C)CCNc2c(C(=O)N3CC4CC4(c4ccncc4)C3)cnn21
InChIInChI=1S/C19H23N5O/c1-18(2)5-8-21-16-15(10-22-24(16)18)17(25)23-11-14-9-19(14,12-23)13-3-6-20-7-4-13/h3-4,6-7,10,14,21H,5,8-9,11-12H2,1-2H3
InChIKeyYAHQKGQYSFNQAE-UHFFFAOYSA-N
XLogP2.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone with MolForge

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Related Compounds

(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-[1-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 146428406
[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 146417662
[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 148568688
[1-[3-chloro-5-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 142462273
furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 166282493
1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166708569
(1S,5S)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 98076944
N-[2-(4-ethylphenyl)butan-2-yl]-8,8-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a][1,3]diazepine-3-carboxamide
CID 146429442
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947
tert-butyl 1-[4-(bromomethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 76565056
[2-[(2S)-3,3-difluorobutan-2-yl]oxy-5-methylsulfonylphenyl]-[1-[5-(trifluoromethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 158953809
2,2,2-trifluoro-1-[(5S)-1-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 163422804

Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The IUPAC name of (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone (CID 146428444) is (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone.
What is the SMILES notation for (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The canonical SMILES for (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone is CC1(C)CCNc2c(C(=O)N3CC4CC4(c4ccncc4)C3)cnn21.
What is the InChIKey of (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The InChIKey is YAHQKGQYSFNQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-18(2)5-8-21-16-15(10-22-24(16)18)17(25)23-11-14-9-19(14,12-23)13-3-6-20-7-4-13/h3-4,6-7,10,14,21H,5,8-9,11-12H2,1-2H3.
What are the key properties of (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
(7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone has a molecular weight of 337.43 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-(1-pyridin-4-yl-3-azabicyclo[3.1.0]hexan-3-yl)methanone is sourced from PubChem (CID 146428444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).