N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C20H23N5O — CID 136568020

IUPACN-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ccnn2c(C)c1CCC(=O)NC(c1ccncc1)C1CC1
InChIInChI=1S/C20H23N5O/c1-13-17(14(2)25-18(23-13)9-12-22-25)5-6-19(26)24-20(15-3-4-15)16-7-10-21-11-8-16/h7-12,15,20H,3-6H2,1-2H3,(H,24,26)
InChIKeyAAFFVVVGVBAESL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.94
Rot. Bonds6

About N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 136568020) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID136568020
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ccnn2c(C)c1CCC(=O)NC(c1ccncc1)C1CC1
InChIInChI=1S/C20H23N5O/c1-13-17(14(2)25-18(23-13)9-12-22-25)5-6-19(26)24-20(15-3-4-15)16-7-10-21-11-8-16/h7-12,15,20H,3-6H2,1-2H3,(H,24,26)
InChIKeyAAFFVVVGVBAESL-UHFFFAOYSA-N
XLogP2.94
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 46513404
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 55478692
1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide
CID 56814639
N-[(4-bromophenyl)-cyclobutylmethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 55915480
N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 97005050
N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
CID 82506740
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 20863535
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-cyclobutylethyl]propanamide
CID 99626638
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 136568020) is N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2ccnn2c(C)c1CCC(=O)NC(c1ccncc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is AAFFVVVGVBAESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-17(14(2)25-18(23-13)9-12-22-25)5-6-19(26)24-20(15-3-4-15)16-7-10-21-11-8-16/h7-12,15,20H,3-6H2,1-2H3,(H,24,26).
What are the key properties of N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 349.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-4-yl)methyl]-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 136568020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).