N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide

C24H33N7O — CID 146180221

IUPACN-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide
SMILESCCc1cnn2c(Nc3cccc(NC(C)=O)c3)cc(NC3CCC(N(C)C)CC3)nc12
InChIInChI=1S/C24H33N7O/c1-5-17-15-25-31-23(28-20-8-6-7-19(13-20)26-16(2)32)14-22(29-24(17)31)27-18-9-11-21(12-10-18)30(3)4/h6-8,13-15,18,21,28H,5,9-12H2,1-4H3,(H,26,32)(H,27,29)
InChIKeyGJHUOFGCUFZMPO-UHFFFAOYSA-N
MW435.58 g/mol
LogP4.28
Rot. Bonds7

About N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide

N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide (PubChem CID 146180221) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide
PubChem CID146180221
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC NameN-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide
SMILESCCc1cnn2c(Nc3cccc(NC(C)=O)c3)cc(NC3CCC(N(C)C)CC3)nc12
InChIInChI=1S/C24H33N7O/c1-5-17-15-25-31-23(28-20-8-6-7-19(13-20)26-16(2)32)14-22(29-24(17)31)27-18-9-11-21(12-10-18)30(3)4/h6-8,13-15,18,21,28H,5,9-12H2,1-4H3,(H,26,32)(H,27,29)
InChIKeyGJHUOFGCUFZMPO-UHFFFAOYSA-N
XLogP4.28
TPSA86.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

4-N-[[3-(buta-1,3-dien-2-ylamino)phenyl]methyl]-2-N-[4-(dimethylamino)cyclohexyl]-8-ethylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 140938859
5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 58938394
N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]prop-2-enamide
CID 146324668
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
2-[1-[7-[3-(buta-1,3-dien-2-ylamino)anilino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;6-N-[3-(buta-1,3-dien-2-ylamino)phenyl]-2-N-[4-(dimethylamino)cyclohexyl]-9-propan-2-ylpurine-2,6-diamine;(E)-4-(dimethylamino)-N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]phenyl]but-2-enamide
CID 162137725
N-[3-chloro-7-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-5-yl]acetamide
CID 146558364
N-[3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]acetamide
CID 59313974
N-[3-[[5-(3-aminopiperidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]-4-(prop-2-enoylamino)benzamide
CID 122596916
N-[3-[[5-[[(4S)-2,2-dimethylpiperidin-4-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide
CID 170358162
N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide
CID 157049318
N-[3-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 58098819
4-(buta-1,3-dien-2-ylamino)-N-[3-[[2-[[4-(dimethylamino)cyclohexyl]amino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]phenyl]benzamide
CID 161376803

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide (CID 146180221) is N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide is CCc1cnn2c(Nc3cccc(NC(C)=O)c3)cc(NC3CCC(N(C)C)CC3)nc12.
What is the InChIKey of N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide?
The InChIKey is GJHUOFGCUFZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-5-17-15-25-31-23(28-20-8-6-7-19(13-20)26-16(2)32)14-22(29-24(17)31)27-18-9-11-21(12-10-18)30(3)4/h6-8,13-15,18,21,28H,5,9-12H2,1-4H3,(H,26,32)(H,27,29).
What are the key properties of N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide?
N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide has a molecular weight of 435.58 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[[4-(dimethylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]acetamide is sourced from PubChem (CID 146180221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).