N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C25H37N5O2 — CID 124948099

IUPACN-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NCC4CCCCC4)c(C)n3n2)C1
InChIInChI=1S/C25H37N5O2/c1-4-25(32)29-13-12-20(16-29)22-14-23-27-17(2)21(18(3)30(23)28-22)10-11-24(31)26-15-19-8-6-5-7-9-19/h14,19-20H,4-13,15-16H2,1-3H3,(H,26,31)/t20-/m1/s1
InChIKeyCKMQMOHMIJTTLK-HXUWFJFHSA-N
MW439.60 g/mol
LogP3.70
Rot. Bonds7

About N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 124948099) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID124948099
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC NameN-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NCC4CCCCC4)c(C)n3n2)C1
InChIInChI=1S/C25H37N5O2/c1-4-25(32)29-13-12-20(16-29)22-14-23-27-17(2)21(18(3)30(23)28-22)10-11-24(31)26-15-19-8-6-5-7-9-19/h14,19-20H,4-13,15-16H2,1-3H3,(H,26,31)/t20-/m1/s1
InChIKeyCKMQMOHMIJTTLK-HXUWFJFHSA-N
XLogP3.70
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
CID 126417241
N-[(2R)-butan-2-yl]-3-[2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124992623
N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124992625
3-[2-[(3R)-1-acetylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide
CID 95829733
3-[2-[(3S)-1-acetylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 124978334
3-[2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 125022741
N-[(2S)-butan-2-yl]-3-[2-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 125019943
3-[2-[(3R)-1-acetylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 124946689
3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 125018564
3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide
CID 110091480
3-[2-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-enylpropanamide
CID 110089303
3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide
CID 124970331

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 124948099) is N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide is CCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NCC4CCCCC4)c(C)n3n2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is CKMQMOHMIJTTLK-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-4-25(32)29-13-12-20(16-29)22-14-23-27-17(2)21(18(3)30(23)28-22)10-11-24(31)26-15-19-8-6-5-7-9-19/h14,19-20H,4-13,15-16H2,1-3H3,(H,26,31)/t20-/m1/s1.
What are the key properties of N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 439.60 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 124948099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).