N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide

C22H29N5O2 — CID 95855094

IUPACN-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccc2c(c1)c([C@H]1CN(Cc3cn(C)nc3C)C[C@@H]1NC(C)=O)cn2C
InChIInChI=1S/C22H29N5O2/c1-14-16(9-26(4)24-14)10-27-12-20(21(13-27)23-15(2)28)19-11-25(3)22-7-6-17(29-5)8-18(19)22/h6-9,11,20-21H,10,12-13H2,1-5H3,(H,23,28)/t20-,21+/m1/s1
InChIKeyPGAVOIRHHJYYGL-RTWAWAEBSA-N
MW395.51 g/mol
LogP2.33
Rot. Bonds5

About N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide

N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 95855094) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID95855094
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccc2c(c1)c([C@H]1CN(Cc3cn(C)nc3C)C[C@@H]1NC(C)=O)cn2C
InChIInChI=1S/C22H29N5O2/c1-14-16(9-26(4)24-14)10-27-12-20(21(13-27)23-15(2)28)19-11-25(3)22-7-6-17(29-5)8-18(19)22/h6-9,11,20-21H,10,12-13H2,1-5H3,(H,23,28)/t20-,21+/m1/s1
InChIKeyPGAVOIRHHJYYGL-RTWAWAEBSA-N
XLogP2.33
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide (CID 95855094) is N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide is COc1ccc2c(c1)c([C@H]1CN(Cc3cn(C)nc3C)C[C@@H]1NC(C)=O)cn2C.
What is the InChIKey of N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is PGAVOIRHHJYYGL-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14-16(9-26(4)24-14)10-27-12-20(21(13-27)23-15(2)28)19-11-25(3)22-7-6-17(29-5)8-18(19)22/h6-9,11,20-21H,10,12-13H2,1-5H3,(H,23,28)/t20-,21+/m1/s1.
What are the key properties of N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide?
N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(5-methoxy-1-methylindol-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 95855094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).