N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

C23H33N5O2 — CID 124992625

IUPACN-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCC[C@@H](C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c1C
InChIInChI=1S/C23H33N5O2/c1-5-14(2)24-22(29)9-8-19-15(3)25-21-12-20(26-28(21)16(19)4)18-10-11-27(13-18)23(30)17-6-7-17/h12,14,17-18H,5-11,13H2,1-4H3,(H,24,29)/t14-,18-/m1/s1
InChIKeyPRYABQLBRFISKO-RDTXWAMCSA-N
MW411.55 g/mol
LogP2.92
Rot. Bonds7

About N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide

N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 124992625) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID124992625
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCC[C@@H](C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c1C
InChIInChI=1S/C23H33N5O2/c1-5-14(2)24-22(29)9-8-19-15(3)25-21-12-20(26-28(21)16(19)4)18-10-11-27(13-18)23(30)17-6-7-17/h12,14,17-18H,5-11,13H2,1-4H3,(H,24,29)/t14-,18-/m1/s1
InChIKeyPRYABQLBRFISKO-RDTXWAMCSA-N
XLogP2.92
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(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-[(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-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124948099
3-[2-[(3R)-1-acetylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide
CID 95829733
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-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46450657
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-[(3R)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 124986576
3-[2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopropylpropanamide
CID 125003838
3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide
CID 124970331
3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide
CID 110091480

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of 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) is N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is CC[C@@H](C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is PRYABQLBRFISKO-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-5-14(2)24-22(29)9-8-19-15(3)25-21-12-20(26-28(21)16(19)4)18-10-11-27(13-18)23(30)17-6-7-17/h12,14,17-18H,5-11,13H2,1-4H3,(H,24,29)/t14-,18-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 411.55 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 124992625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).