(3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C22H25N5O3 — CID 92565409

IUPAC(3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)[C@@H]1CC(=O)N(C)C1)cn2C
InChIInChI=1S/C22H25N5O3/c1-13-23-9-15(10-24-22(29)14-7-20(28)27(3)11-14)21(25-13)18-12-26(2)19-6-5-16(30-4)8-17(18)19/h5-6,8-9,12,14H,7,10-11H2,1-4H3,(H,24,29)/t14-/m1/s1
InChIKeySLDZUYZOFAWPPD-CQSZACIVSA-N
MW407.47 g/mol
LogP2.05
Rot. Bonds5

About (3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 92565409) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID92565409
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)[C@@H]1CC(=O)N(C)C1)cn2C
InChIInChI=1S/C22H25N5O3/c1-13-23-9-15(10-24-22(29)14-7-20(28)27(3)11-14)21(25-13)18-12-26(2)19-6-5-16(30-4)8-17(18)19/h5-6,8-9,12,14H,7,10-11H2,1-4H3,(H,24,29)/t14-/m1/s1
InChIKeySLDZUYZOFAWPPD-CQSZACIVSA-N
XLogP2.05
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 110223892
N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 110223893
2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide
CID 92565431
(3S)-N-[2-(2-chloro-4-methoxyphenyl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998725
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
N-[(2-fluorophenyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185414
(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide
CID 86770824
(3S)-1-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7438279
(3R)-1-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7438277
(4R,8R)-8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 75411872
8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
CID 162798658
(4R,8R)-N-[(3,5-difluorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411890

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 92565409) is (3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)[C@@H]1CC(=O)N(C)C1)cn2C.
What is the InChIKey of (3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SLDZUYZOFAWPPD-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13-23-9-15(10-24-22(29)14-7-20(28)27(3)11-14)21(25-13)18-12-26(2)19-6-5-16(30-4)8-17(18)19/h5-6,8-9,12,14H,7,10-11H2,1-4H3,(H,24,29)/t14-/m1/s1.
What are the key properties of (3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(5-methoxy-1-methylindol-3-yl)-2-methylpyrimidin-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92565409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).