(2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide

C27H33N7O2 — CID 162159665

IUPAC(2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCOc1nn(C)cc1Cc1nccc(C2=CCc3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc32)n1
InChIInChI=1S/C27H33N7O2/c1-18(34-14-12-32(2)13-15-34)26(35)30-23-7-5-6-20-21(23)8-9-22(20)24-10-11-28-25(29-24)16-19-17-33(3)31-27(19)36-4/h5-7,9-11,17-18H,8,12-16H2,1-4H3,(H,30,35)/t18-/m1/s1
InChIKeyZMHPMPJYVWYFHH-GOSISDBHSA-N
MW487.61 g/mol
LogP2.37
Rot. Bonds7

About (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide

(2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 162159665) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID162159665
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name(2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCOc1nn(C)cc1Cc1nccc(C2=CCc3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc32)n1
InChIInChI=1S/C27H33N7O2/c1-18(34-14-12-32(2)13-15-34)26(35)30-23-7-5-6-20-21(23)8-9-22(20)24-10-11-28-25(29-24)16-19-17-33(3)31-27(19)36-4/h5-7,9-11,17-18H,8,12-16H2,1-4H3,(H,30,35)/t18-/m1/s1
InChIKeyZMHPMPJYVWYFHH-GOSISDBHSA-N
XLogP2.37
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide with MolForge

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Related Compounds

(2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]propanamide
CID 146705841
(2R)-2-[(3R)-3,4-dimethylpiperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidin-4-yl]-3H-inden-4-yl]propanamide
CID 149406588
(2R)-2-[(3S)-3,4-dimethylpiperazin-1-yl]-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidin-4-yl]-3H-inden-4-yl]propanamide
CID 149406587
(3R)-4-methoxy-1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-3-(4-methylpiperazin-1-yl)butan-2-one
CID 147695289
ethane;N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 145279625
(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250084
(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 164987388
(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896328
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 4824501
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
2-bromo-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide
CID 126720790
N-[3-[2-[(3-ethoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 140779907

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide (CID 162159665) is (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide is COc1nn(C)cc1Cc1nccc(C2=CCc3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc32)n1.
What is the InChIKey of (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is ZMHPMPJYVWYFHH-GOSISDBHSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-18(34-14-12-32(2)13-15-34)26(35)30-23-7-5-6-20-21(23)8-9-22(20)24-10-11-28-25(29-24)16-19-17-33(3)31-27(19)36-4/h5-7,9-11,17-18H,8,12-16H2,1-4H3,(H,30,35)/t18-/m1/s1.
What are the key properties of (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide?
(2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 487.61 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[2-[(3-methoxy-1-methylpyrazol-4-yl)methyl]pyrimidin-4-yl]-3H-inden-4-yl]-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 162159665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).