[6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone

C30H37N7O2 — CID 170521372

IUPAC[6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ncccn2)cc1C(=O)N1CC2C(C1)C2Oc1cc(C(C)(C)N)cc(C2=CCC(C)(C)CC2)n1
InChIInChI=1S/C30H37N7O2/c1-18-21(17-37(35-18)28-32-11-6-12-33-28)27(38)36-15-22-23(16-36)26(22)39-25-14-20(30(4,5)31)13-24(34-25)19-7-9-29(2,3)10-8-19/h6-7,11-14,17,22-23,26H,8-10,15-16,31H2,1-5H3
InChIKeyUYZFBBMFOVSNDN-UHFFFAOYSA-N
MW527.67 g/mol
LogP4.30
Rot. Bonds6

About [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone

[6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone (PubChem CID 170521372) has the molecular formula C30H37N7O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone
PubChem CID170521372
Molecular FormulaC30H37N7O2
Molecular Weight527.67 g/mol
Exact Mass527.30
IUPAC Name[6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone
SMILESCc1nn(-c2ncccn2)cc1C(=O)N1CC2C(C1)C2Oc1cc(C(C)(C)N)cc(C2=CCC(C)(C)CC2)n1
InChIInChI=1S/C30H37N7O2/c1-18-21(17-37(35-18)28-32-11-6-12-33-28)27(38)36-15-22-23(16-36)26(22)39-25-14-20(30(4,5)31)13-24(34-25)19-7-9-29(2,3)10-8-19/h6-7,11-14,17,22-23,26H,8-10,15-16,31H2,1-5H3
InChIKeyUYZFBBMFOVSNDN-UHFFFAOYSA-N
XLogP4.30
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[6-[[4-(2-aminopropan-2-yl)-6-(2,4,5-trifluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone
CID 170521351
[6-[[4-(2-aminopropan-2-yl)-6-(3,4-difluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone
CID 170521416
[(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(3,4-difluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[3-(hydroxymethyl)-1-pyrimidin-2-ylpyrazol-4-yl]methanone
CID 170337260
[6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[1-pyrimidin-2-yl-3-(triazol-2-ylmethyl)pyrazol-4-yl]methanone
CID 170521396
[(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[1-pyrimidin-2-yl-3-(triazol-2-ylmethyl)pyrazol-4-yl]methanone
CID 170337382
2-[2-(3,4-difluorophenyl)-6-[[(1S,5R)-3-[3-(hydroxymethyl)-1-pyrimidin-2-ylpyrazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-4-pyridinyl]propan-2-ylcarbamic acid
CID 170337449
[(3S,4S)-3-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-4-methylpyrrolidin-1-yl]-[3-(2,2-difluoroethyl)-1-pyrimidin-2-ylpyrazol-4-yl]methanone
CID 174150897
[(1S,5R)-6-[[4-(2-aminopropan-2-yl)-6-[4-(1,1-difluoroethyl)phenyl]-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 170337320
[(1S,5R)-6-[[4-(2-aminopropan-2-yl)-6-(3,4-difluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 170337326
[(1S,5R)-6-[[4-(2-aminopropan-2-yl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(1-methyl-3-pyrimidin-2-ylpyrazol-5-yl)methanone
CID 170337363
benzyl N-[2-[2-(4-fluorophenyl)-6-[[(1S,5R)-3-[1-pyrimidin-2-yl-3-(triazol-2-ylmethyl)pyrazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]oxy]-4-pyridinyl]propan-2-yl]carbamate
CID 175957776
[(1R,5S)-6-[[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-[4-fluoro-1-methyl-3-(1,3-thiazol-4-yl)pyrazol-5-yl]methanone
CID 170323231

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone (CID 170521372) is [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone is Cc1nn(-c2ncccn2)cc1C(=O)N1CC2C(C1)C2Oc1cc(C(C)(C)N)cc(C2=CCC(C)(C)CC2)n1.
What is the InChIKey of [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone?
The InChIKey is UYZFBBMFOVSNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O2/c1-18-21(17-37(35-18)28-32-11-6-12-33-28)27(38)36-15-22-23(16-36)26(22)39-25-14-20(30(4,5)31)13-24(34-25)19-7-9-29(2,3)10-8-19/h6-7,11-14,17,22-23,26H,8-10,15-16,31H2,1-5H3.
What are the key properties of [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone?
[6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone has a molecular weight of 527.67 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(2-aminopropan-2-yl)-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]oxy]-3-azabicyclo[3.1.0]hexan-3-yl]-(3-methyl-1-pyrimidin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 170521372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).