3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide

C26H35N5O2 — CID 124996313

IUPAC3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
SMILESCOc1cccc(CN2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)c1
InChIInChI=1S/C26H35N5O2/c1-17(2)27-26(32)12-11-22-18(3)28-25-15-23(29-31(25)19(22)4)24-10-7-13-30(24)16-20-8-6-9-21(14-20)33-5/h6,8-9,14-15,17,24H,7,10-13,16H2,1-5H3,(H,27,32)/t24-/m1/s1
InChIKeyQSBJTRRCOVOMHN-XMMPIXPASA-N
MW449.60 g/mol
LogP4.15
Rot. Bonds8

About 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide

3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide (PubChem CID 124996313) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
PubChem CID124996313
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
SMILESCOc1cccc(CN2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)c1
InChIInChI=1S/C26H35N5O2/c1-17(2)27-26(32)12-11-22-18(3)28-25-15-23(29-31(25)19(22)4)24-10-7-13-30(24)16-20-8-6-9-21(14-20)33-5/h6,8-9,14-15,17,24H,7,10-13,16H2,1-5H3,(H,27,32)/t24-/m1/s1
InChIKeyQSBJTRRCOVOMHN-XMMPIXPASA-N
XLogP4.15
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide with MolForge

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Related Compounds

3-[5,7-dimethyl-2-[(2R)-1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 125024557
3-[5,7-dimethyl-2-[1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 110088017
3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 95811580
3-[2-[(3R)-1-acetylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 124946689
N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110250298
N-cyclopropyl-3-[5,7-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110087946
3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 110087940
3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 124944946
N-cyclopropyl-3-[2-[(2R)-1-[(2-fluorophenyl)methyl]piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124958942
3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide
CID 124970331
N-cyclopentyl-3-[5,7-dimethyl-2-[(2R)-1-[(2S)-2-methylbutanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 125011811
N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 125024669

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide (CID 124996313) is 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide is COc1cccc(CN2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)c1.
What is the InChIKey of 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
The InChIKey is QSBJTRRCOVOMHN-XMMPIXPASA-N. The full InChI is InChI=1S/C26H35N5O2/c1-17(2)27-26(32)12-11-22-18(3)28-25-15-23(29-31(25)19(22)4)24-10-7-13-30(24)16-20-8-6-9-21(14-20)33-5/h6,8-9,14-15,17,24H,7,10-13,16H2,1-5H3,(H,27,32)/t24-/m1/s1.
What are the key properties of 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide?
3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide has a molecular weight of 449.60 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 124996313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).