3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

C24H32N6O — CID 95811580

IUPAC3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3Cc3cccnc3)nn2c1C
InChIInChI=1S/C24H32N6O/c1-4-11-26-24(31)10-9-20-17(2)27-23-14-21(28-30(23)18(20)3)22-8-6-13-29(22)16-19-7-5-12-25-15-19/h5,7,12,14-15,22H,4,6,8-11,13,16H2,1-3H3,(H,26,31)/t22-/m0/s1
InChIKeyBGANPUVPXHKXSG-QFIPXVFZSA-N
MW420.56 g/mol
LogP3.54
Rot. Bonds8

About 3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide (PubChem CID 95811580) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
PubChem CID95811580
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3Cc3cccnc3)nn2c1C
InChIInChI=1S/C24H32N6O/c1-4-11-26-24(31)10-9-20-17(2)27-23-14-21(28-30(23)18(20)3)22-8-6-13-29(22)16-19-7-5-12-25-15-19/h5,7,12,14-15,22H,4,6,8-11,13,16H2,1-3H3,(H,26,31)/t22-/m0/s1
InChIKeyBGANPUVPXHKXSG-QFIPXVFZSA-N
XLogP3.54
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[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
3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 125002508
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
N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110250298
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
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-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide
CID 124970331
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
N-cyclopropyl-3-[2-[(2R)-1-[(2-fluorophenyl)methyl]piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124958942
N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 95811609

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
The IUPAC name of 3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide (CID 95811580) is 3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
The canonical SMILES for 3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide is CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3Cc3cccnc3)nn2c1C.
What is the InChIKey of 3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
The InChIKey is BGANPUVPXHKXSG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N6O/c1-4-11-26-24(31)10-9-20-17(2)27-23-14-21(28-30(23)18(20)3)22-8-6-13-29(22)16-19-7-5-12-25-15-19/h5,7,12,14-15,22H,4,6,8-11,13,16H2,1-3H3,(H,26,31)/t22-/m0/s1.
What are the key properties of 3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide has a molecular weight of 420.56 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide is sourced from PubChem (CID 95811580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).