N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide

C18H26N6O2 — CID 25208259

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(N2CCC[C@@H]2COC)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H26N6O2/c1-5-17(25)19-15-10-16(23-8-6-7-14(23)11-26-4)21-18(20-15)24-13(3)9-12(2)22-24/h9-10,14H,5-8,11H2,1-4H3,(H,19,20,21,25)/t14-/m1/s1
InChIKeySIFGOPVTYSLYLX-CQSZACIVSA-N
MW358.45 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide (PubChem CID 25208259) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide
PubChem CID25208259
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(N2CCC[C@@H]2COC)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H26N6O2/c1-5-17(25)19-15-10-16(23-8-6-7-14(23)11-26-4)21-18(20-15)24-13(3)9-12(2)22-24/h9-10,14H,5-8,11H2,1-4H3,(H,19,20,21,25)/t14-/m1/s1
InChIKeySIFGOPVTYSLYLX-CQSZACIVSA-N
XLogP2.24
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide (CID 25208259) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide is CCC(=O)Nc1cc(N2CCC[C@@H]2COC)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide?
The InChIKey is SIFGOPVTYSLYLX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-5-17(25)19-15-10-16(23-8-6-7-14(23)11-26-4)21-18(20-15)24-13(3)9-12(2)22-24/h9-10,14H,5-8,11H2,1-4H3,(H,19,20,21,25)/t14-/m1/s1.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide has a molecular weight of 358.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 25208259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).