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

C24H37N5O2 — CID 125019943

IUPACN-[(2S)-butan-2-yl]-3-[2-[(3S)-1-(2,2-dimethylpropanoyl)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)C(C)(C)C)C3)nn2c1C
InChIInChI=1S/C24H37N5O2/c1-8-15(2)25-22(30)10-9-19-16(3)26-21-13-20(27-29(21)17(19)4)18-11-12-28(14-18)23(31)24(5,6)7/h13,15,18H,8-12,14H2,1-7H3,(H,25,30)/t15-,18-/m0/s1
InChIKeyXZMPCKSUZKRJFF-YJBOKZPZSA-N
MW427.59 g/mol
LogP3.56
Rot. Bonds6

About 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

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 (PubChem CID 125019943) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[2-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID125019943
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC NameN-[(2S)-butan-2-yl]-3-[2-[(3S)-1-(2,2-dimethylpropanoyl)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)C(C)(C)C)C3)nn2c1C
InChIInChI=1S/C24H37N5O2/c1-8-15(2)25-22(30)10-9-19-16(3)26-21-13-20(27-29(21)17(19)4)18-11-12-28(14-18)23(31)24(5,6)7/h13,15,18H,8-12,14H2,1-7H3,(H,25,30)/t15-,18-/m0/s1
InChIKeyXZMPCKSUZKRJFF-YJBOKZPZSA-N
XLogP3.56
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(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
N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124948099
3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide
CID 110091480
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
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-tert-butyl-3-[5,7-dimethyl-2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110091486
3-[2-[(3R)-1-acetylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 124946689
N-tert-butyl-3-[5,7-dimethyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110091482
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H](C)NC(=O)CCc1c(C)nc2cc([C@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C.
What is the InChIKey of 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?
The InChIKey is XZMPCKSUZKRJFF-YJBOKZPZSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-8-15(2)25-22(30)10-9-19-16(3)26-21-13-20(27-29(21)17(19)4)18-11-12-28(14-18)23(31)24(5,6)7/h13,15,18H,8-12,14H2,1-7H3,(H,25,30)/t15-,18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 427.59 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 125019943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).