3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide

C22H27N5O2 — CID 124970331

IUPAC3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c1C
InChIInChI=1S/C22H27N5O2/c1-4-11-23-21(28)10-9-17-14(2)24-20-13-18(25-27(20)15(17)3)19-6-5-12-26(19)22(29)16-7-8-16/h1,13,16,19H,5-12H2,2-3H3,(H,23,28)/t19-/m0/s1
InChIKeyJPIRAGZGOJMJRL-IBGZPJMESA-N
MW393.49 g/mol
LogP2.10
Rot. Bonds6

About 3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide

3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide (PubChem CID 124970331) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide
PubChem CID124970331
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c1C
InChIInChI=1S/C22H27N5O2/c1-4-11-23-21(28)10-9-17-14(2)24-20-13-18(25-27(20)15(17)3)19-6-5-12-26(19)22(29)16-7-8-16/h1,13,16,19H,5-12H2,2-3H3,(H,23,28)/t19-/m0/s1
InChIKeyJPIRAGZGOJMJRL-IBGZPJMESA-N
XLogP2.10
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 95811609
3-[2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopropylpropanamide
CID 125003838
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
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
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
1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 127244544
3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 95811580
(2R)-1-[(2S)-2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 124974537
1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 110087968
3-[5,7-dimethyl-2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124952047
N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 125024669
3-[5,7-dimethyl-2-[1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 110088017

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide?
The IUPAC name of 3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide (CID 124970331) is 3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide is C#CCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c1C.
What is the InChIKey of 3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide?
The InChIKey is JPIRAGZGOJMJRL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N5O2/c1-4-11-23-21(28)10-9-17-14(2)24-20-13-18(25-27(20)15(17)3)19-6-5-12-26(19)22(29)16-7-8-16/h1,13,16,19H,5-12H2,2-3H3,(H,23,28)/t19-/m0/s1.
What are the key properties of 3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide?
3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide has a molecular weight of 393.49 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 124970331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).