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

C25H28FN5O2 — CID 125024669

IUPACN-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2cc([C@H]3CCCN3C(=O)c3cccc(F)c3)nn2c(C)c1CCC(=O)NC1CC1
InChIInChI=1S/C25H28FN5O2/c1-15-20(10-11-24(32)28-19-8-9-19)16(2)31-23(27-15)14-21(29-31)22-7-4-12-30(22)25(33)17-5-3-6-18(26)13-17/h3,5-6,13-14,19,22H,4,7-12H2,1-2H3,(H,28,32)/t22-/m1/s1
InChIKeyZHESPOFPCRVFHK-JOCHJYFZSA-N
MW449.53 g/mol
LogP3.67
Rot. Bonds6

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

N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 125024669) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID125024669
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC NameN-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2cc([C@H]3CCCN3C(=O)c3cccc(F)c3)nn2c(C)c1CCC(=O)NC1CC1
InChIInChI=1S/C25H28FN5O2/c1-15-20(10-11-24(32)28-19-8-9-19)16(2)31-23(27-15)14-21(29-31)22-7-4-12-30(22)25(33)17-5-3-6-18(26)13-17/h3,5-6,13-14,19,22H,4,7-12H2,1-2H3,(H,28,32)/t22-/m1/s1
InChIKeyZHESPOFPCRVFHK-JOCHJYFZSA-N
XLogP3.67
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopropylpropanamide
CID 125003838
N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 95811609
N-cyclopentyl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863151
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-[(2-fluorophenyl)methyl]piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124958942
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-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 110250298
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-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 6619700
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopentylpropanamide
CID 20863074
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-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 95179345

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 125024669) is N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1nc2cc([C@H]3CCCN3C(=O)c3cccc(F)c3)nn2c(C)c1CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is ZHESPOFPCRVFHK-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-15-20(10-11-24(32)28-19-8-9-19)16(2)31-23(27-15)14-21(29-31)22-7-4-12-30(22)25(33)17-5-3-6-18(26)13-17/h3,5-6,13-14,19,22H,4,7-12H2,1-2H3,(H,28,32)/t22-/m1/s1.
What are the key properties of N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 449.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[(2R)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 125024669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).