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

C26H34N6O — CID 110250298

IUPACN-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2cc(C3CCCN3Cc3ccccn3)nn2c(C)c1CCC(=O)NC1CCCC1
InChIInChI=1S/C26H34N6O/c1-18-22(12-13-26(33)29-20-8-3-4-9-20)19(2)32-25(28-18)16-23(30-32)24-11-7-15-31(24)17-21-10-5-6-14-27-21/h5-6,10,14,16,20,24H,3-4,7-9,11-13,15,17H2,1-2H3,(H,29,33)
InChIKeyVWKRXPJSVACWNZ-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.07
Rot. Bonds7

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

N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 110250298) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID110250298
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC NameN-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2cc(C3CCCN3Cc3ccccn3)nn2c(C)c1CCC(=O)NC1CCCC1
InChIInChI=1S/C26H34N6O/c1-18-22(12-13-26(33)29-20-8-3-4-9-20)19(2)32-25(28-18)16-23(30-32)24-11-7-15-31(24)17-21-10-5-6-14-27-21/h5-6,10,14,16,20,24H,3-4,7-9,11-13,15,17H2,1-2H3,(H,29,33)
InChIKeyVWKRXPJSVACWNZ-UHFFFAOYSA-N
XLogP4.07
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 95811609
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
N-cyclopentyl-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 6619700
3-[2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopropylpropanamide
CID 125003838
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-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 95811580
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
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-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 124996313

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 110250298) is N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1nc2cc(C3CCCN3Cc3ccccn3)nn2c(C)c1CCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is VWKRXPJSVACWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-18-22(12-13-26(33)29-20-8-3-4-9-20)19(2)32-25(28-18)16-23(30-32)24-11-7-15-31(24)17-21-10-5-6-14-27-21/h5-6,10,14,16,20,24H,3-4,7-9,11-13,15,17H2,1-2H3,(H,29,33).
What are the key properties of N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 446.60 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[5,7-dimethyl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 110250298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).